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| CAS Number | 102-32-9 |
| Catalog Number | AG00068W(AGN-PC-07Y4J0) |
| Chemical Name | 3,4-Dihydroxyphenylacetic Acid |
| EC Number | 203-024-1 |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)acetic acid |
| InChI | InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) |
| InChI Key | CFFZDZCDUFSOFZ-UHFFFAOYSA-N |
| MDL Number | MFCD00004338 |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.1467 |
| NSC Number | 73191 |
| SMILES | OC=1C=C(C=CC1O)CC(=O)O |
| UNII | KEX5N0R4N5 |
| Synonyms | 3,4 Dihydroxyphenylacetic Acid,
3,4-Dihydroxyphenylacetic Acid,
3,4-Dihydroxyphenylacetic Acid, Monosodium Salt,
DOPAC,
Homoprotocatechuic Acid,
3,4-Dihydroxyphenylacetic acid,
102-32-9,
Dopac,
Homoprotocatechuic acid,
2-(3,4-DIHYDROXYPHENYL)ACETIC ACID,
Dopacetic acid,
Benzeneacetic acid, 3,4-dihydroxy-,
3,4-Dihydroxybenzeneacetic acid,
Dihydroxyphenylacetic acid,
(3,4-DIHYDROXYPHENYL)ACETIC ACID,
4-Carboxymethylcatechol,
Homoprotocatechuate,
3,4-Dihydroxy-phenylacetic acid,
Acetic acid, (3,4-dihydroxyphenyl)-,
BA 2773,
3,4-dihydroxyphenylacetate,
UNII-KEX5N0R4N5,
MFCD00004338,
CCRIS 3765,
EINECS 203-024-1,
Lopac-D-9128,
NSC 73191,
BRN 2211017,
KEX5N0R4N5,
3,4-DHPOP,
AI3-52339,
MLS001056737,
3,4-dihydroxyphenyl acetic acid,
CHEBI:41941,
CFFZDZCDUFSOFZ-UHFFFAOYSA-N,
3,4-DIHYDROXYPHENYLACETICACID,
3,4-Dihydroxyphenylacetic acid, 98%,
3,4-DIHYDROXYPHENYLCAETIC ACID,
AK-45471,
SMR000326727,
DHY,
3,4-Dihydroxyphenylacetate, XV,
HAA,
Dopacetate,
3,4 Dihydroxyphenylacetic Acid,
3pcn,
Dihydroxyphenylacetate,
PubChem15519,
PubChem24320,
1ai4,
Catechol-4-acetic Acid,
cid_547,
4-Carboxymethylpyrocatechol,
bmse000329,
Pyrocatechol-4-acetic Acid,
3,4-Dihydroxybenzeneacetate,
AC1L19HD,
AC1Q74WV,
CHEMBL1284,
NCIOpen2_000518,
Lopac0_000414,
SCHEMBL36348,
KSC489O0J,
ACMC-20981j,
DOPAC; Homoprotocatechuic acid,
Benzeneacetic acid,4-dihydroxy-,
DTXSID9074430,
Acetic acid,4-dihydroxyphenyl)-,
BDBM52946,
CTK3I9704,
KS-00000CQW,
3,4-dihydroxy-Benzeneacetic acid,
3,4-dihydroxyl phenylacetic acid,
BID2105,
ZX-AFC001494,
HMS2233I20,
HMS3261C10,
HMS3373A01,
KUC106695N,
KUC106697N,
ZINC388555,
(3,4-dihydroxyphenyl)-Acetic acid,
NSC73191,
Tox21_500414,
ANW-14693,
NSC-73191,
SBB064931,
AKOS015890264,
3,4-Dihydroxyphenylacetic acid polymer,
AC-5292,
AN-1120,
CCG-204506,
CD-1336,
CS-W001080,
DB01702,
Dopac/(3,4-dihydroxyphenyl)-aceticaci,
FCH1114657,
HY-W001080,
LP00414,
MCULE-3883489471,
MTB0002437,
RS-1018,
RTR-000594,
TRA0061804,
Acetic acid, (3,4-dihydroxyphenyl)-,,
NCGC00015381-01,
NCGC00015381-02,
NCGC00015381-03,
NCGC00015381-04,
NCGC00015381-05,
NCGC00093838-01,
NCGC00093838-02,
NCGC00093838-03,
NCGC00261099-01,
AJ-20686,
BR-45471,
KSC-11-207-5,
KSC-11-207-8,
LS-11781,
SC-51734,
SY015718,
2-[3,4-bis(oxidanyl)phenyl]ethanoic acid,
AB0034449,
AB1003740,
AX8006414,
Benzeneacetic acid, 3,4-dihydroxy- (9CI),
ST2410266,
TR-000594,
4CH-014740,
AM20020093,
D1283,
EU-0100414,
FT-0614331,
ST45026883,
X8606,
MFCD00004338 (98%),
C01161,
D 9128,
J10416,
M-4413,
C-04988,
SR-01000075841,
3,4-Dihydroxyphenylacetic acid, analytical standard,
I01-6366,
J-000672,
SR-01000075841-1,
47115C80-8C82-419A-BC51-B10A2CB7FE8F,
3,4-Dihydroxyphenylacetic acid ;Homoprotocatechuic acid; DOPAC,
InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12,
Homogentisic acid,
3,4-Dihydroxyphenyl acetate,
D04UPU,
C8H8O4,
3,4-dihydroxyphenyleddikesyre,
(3,4-dihydroxyphenyl)acetate,
2,4-Dihydroxyphenylacetic acid,
CID547,
C8-H8-O4,
ACN-057048,
4-10-00-01509 (Beilstein Handbook Reference),
3,4-Dihydroxyphenylacetic acid, 98% - 1G 1g,
3,4-Dihydroxyphenylacetic Acid, Monosodium Salt,
D015102,
110-65-6,
614-82-4,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.148g/mol |
| Monoisotopic Mass | 168.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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