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| CAS Number | 619-81-8 |
| Catalog Number | AG003OXH(AGN-PC-0ODKZV) |
| Chemical Name | cis-Cyclohexane-1,4-dicarboxylic acid |
| IUPAC Name | cyclohexane-1,4-dicarboxylic acid |
| InChI | InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChI Key | PXGZQGDTEZPERC-UHFFFAOYSA-N |
| MDL Number | MFCD00064950 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.1785 |
| SMILES | O=C([C@H]1CC[C@@H](C(O)=O)CC1)O |
| Synonyms | 1,4-CYCLOHEXANEDICARBOXYLIC ACID,
trans-1,4-Cyclohexanedicarboxylic acid,
619-82-9,
1076-97-7,
619-81-8,
cis-1,4-Cyclohexanedicarboxylic acid,
cyclohexane-1,4-dicarboxylic acid,
cis-Cyclohexane-1,4-dicarboxylic acid,
trans-Cyclohexane-1,4-dicarboxylic acid,
Hexahydroterephthalic acid,
trans-1,4-Cyclohexanedicarboxybic acid,
cis-Hexahydroterephthalic acid,
trans-Hexahydroterephthalic acid,
cis-1,4-Cyclohexanedicarboxybic acid,
1,4-Dicarboxycyclohexane,
1,4-Cyclohexanedicarboxylic acid, cis-,
1,4-Cyclohexanedicarboxylic acid, trans-,
Terephthalic acid, hexahydro-,
UNII-68QED0R44U,
UNII-18W55738KH,
EINECS 214-068-6,
68QED0R44U,
(1r,4r)-cyclohexane-1,4-dicarboxylic acid,
PXGZQGDTEZPERC-IZLXSQMJSA-N,
PXGZQGDTEZPERC-OLQVQODUSA-N,
PXGZQGDTEZPERC-UHFFFAOYSA-N,
UNII-13LBH83IU4,
1,4-Cyclohexanedicarboxylic acid,c&t,
MFCD00001465,
MFCD00066203,
trans-1,4-Cyclohexyldicarboxylic acid,
1,4-Cyclohexanedicarboxylic acid;CHDA,
18W55738KH,
1,4-Cyclohexanedicarboxylic acid, cis + trans,
13LBH83IU4,
1,4-Cyclohexanedicarboxylic acid, 99+%, mixture of cis and trans,
L14,
EINECS 210-614-2,
PubChem5756,
PubChem5758,
PubChem10837,
1,4-Cyclohexanedicarboxylic acid, (E)-,
ACMC-209myg,
ACMC-209myh,
ACMC-20ap2s,
Maybridge1_003835,
EC 214-068-6,
AC1Q74EQ,
DSSTox_CID_18788,
DSSTox_RID_79393,
DSSTox_GSID_38788,
SCHEMBL26833,
SCHEMBL36093,
KSC356O4F,
1,4-CHDA-HP,
SCHEMBL196124,
AC1L234Z,
NSC621,
trans-Hexahydro-p-phthalic acid,
CHEMBL3187151,
DTXSID2038788,
SCHEMBL12735707,
AMCH00018,
CTK2F5832,
CTK2F6742,
HMS552G07,
KS-00000CMQ,
KS-00000INQ,
PXGZQGDTEZPERC-UHFFFAOYSA-,
NSC-621,
1,4 cyclohexane dicarboxylic acid,
1,4-cyclohexane dicarboxylic acid,
1,4-cyclohexane-dicarboxylic acid,
ACN-S004267,
ACT03300,
cis-1,4-CyclohexanedicarboxylicAcid,
NSC61121,
ZINC3848696,
Tox21_300649,
1,4-cis-cyclohexanedicarboxylic acid,
ANW-34022,
ANW-34023,
CC-977,
MFCD00064950,
NSC-61121,
SBB008430,
STK286097,
trans-1,4-CyclohexanedicarboxylicAcid,
1,4-Cyclohexanedicarboxylicacid, cis-,
AKOS000119919,
AKOS006239068,
AKOS015833094,
ZINC100003954,
ZINC100020651,
CS-W017607,
CS-W017613,
DS-4537,
FR-2041,
LS40227,
MCULE-5359978773,
MP-0272,
RP17421,
RP23444,
RTR-001851,
RTR-021317,
RTR-021318,
SB11027,
trans-cyclohexan-1,4-dicarboxylic acid,
VZ33903,
1,4-Cyclohexanedicarboxylic acid, 99%,
1,4-Cyclohexanedicarboxylicacid, trans-,
1,4-trans-cyclohexane dicarboxylic acid,
KS-000015W2,
trans-1,4-cyclohexane dicarboxylic acid,
trans-cyclohexane-l,4-dicarboxylic acid,
1,4-Cyclohexanedicarboxylic acid, (Z)-,
NCGC00248127-01,
NCGC00248127-02,
NCGC00254557-01,
1alpha,4alpha-Cyclohexanedicarboxylic acid,
AJ-45892,
AK-46711,
AK-47291,
AK116050,
AN-24839,
AN-46673,
AN-48453,
AS-12942,
BR-46711,
BR-47291,
DS-14335,
LS-56774,
M970,
SC-05803,
SC-05804,
SC-15215,
SY001850,
SY011569,
U276,
CAS-1076-97-7,
AB1003803,
DB-007925,
DB-040778,
DB-054035,
ST2408473,
ST2413999,
ST2419184,
TL8000268,
TL8004005,
TL8004006,
TR-001851,
TR-021317,
TR-021318,
AM20070502,
AM20070550,
FT-0623871,
FT-0623884,
FT-0632593,
ST50307362,
MFCD00001465 (98%),
trans-1,4-Cyclohexanedicarboxylic acid, 95%,
M-5930,
AB01331427-02,
MFCD00066203 (97+%),
619C818,
A801743,
A833516,
A833517,
(1S,4S)-CYCLOHEXANE-1,4-DICARBOXYLIC ACID,
1,4-Cyclohexanedicarboxylic acid, mixture of isomers,
I04-0953,
I04-0954,
I04-0992,
Trans-1,4-CyclohexanedicarboxylicAcidMonomethylEster,
W-108738,
F8889-5637,
F8889-8705,
Z256708614,
1,4-Cyclohexanedicarboxylic Acid, Mixture of Cis And Trans,
1,4-Cyclohexanedicarboxylic acid,mixture of cis and trans,
UNII-13LBH83IU4 component PXGZQGDTEZPERC-IZLXSQMJSA-N,
UNII-13LBH83IU4 component PXGZQGDTEZPERC-OLQVQODUSA-N,
1,4-Cyclohexanedicarboxylic acid,mixture of cis and trans, 99%,
InChI=1/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12),
1, trans-,
1, cis-,
1,4-Benzenedicarbothioic acid,
C8H12O4,
1,4-Cyclohexanedicarboxybic acid,
1,4-dcyclohexanedicarboxylic acid,
ACN-S002292,
CID14106,
c0475,
c0788,
c0789,
C8-H12-O4,
cis-1,2-Cyclohexanedicarboxylic acid,
trans-1,4-Cyclohexanedicarboxybicacid,
CB11259,
CB11260,
A3337,
Cyclohexane-1,4-dicarboxylic acid monomethyl ester,
cis-1,4-Cyclohexanedicarboxylic acid, 90% - 100G 100g,
trans-1,4-Cyclohexanedicarboxylic acid, 97% - 100G 100g,
1,4-Cyclohexanedicarboxylic acid, 99%, mixture of cis and trans - 100G 100g,
15177-67-0,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.18g/mol |
| Monoisotopic Mass | 172.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

