AG0034RE

3399-22-2 | Dimethyl trans-1,4-Cyclohexanedicarboxylate

AG0034RE

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CAS Number	3399-22-2
Catalog Number	AG0034RE(AGN-PC-0O939Q)
Chemical Name	Dimethyl trans-1,4-Cyclohexanedicarboxylate
IUPAC Name	dimethyl cyclohexane-1,4-dicarboxylate
InChI	InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3
InChI Key	LNGAGQAGYITKCW-UHFFFAOYSA-N
MDL Number	MFCD00063917
Molecular Formula	C10H16O4
Molecular Weight	200.2316
NSC Number	76564
SMILES	[C@H]1(CC[C@H](CC1)C(=O)OC)C(=O)OC
Synonyms	3399-22-2, 94-60-0, Dimethyl 1,4-cyclohexanedicarboxylate, Dimethyl cyclohexane-1,4-dicarboxylate, DIMETHYL TRANS-1,4-CYCLOHEXANEDICARBOXYLATE, 3399-21-1, cis-Dimethyl cyclohexane-1,4-dicarboxylate, (1r,4r)-dimethyl cyclohexane-1,4-dicarboxylate, Dimethyl trans-cyclohexane-1,4-dicarboxylate, trans-Dimethyl cyclohexane-1,4-dicarboxylate, 1,4-Cyclohexanedicarboxylic acid, dimethyl ester, DIMETHYL HEXAHYDROTEREPHTHALATE, 1,4-Cyclohexanedicarboxylic acid, dimethyl ester, trans-, UNII-YS87MDS0ZV, UNII-35IVG3419I, HSDB 5284, EINECS 202-347-5, MFCD00063917, YS87MDS0ZV, Dimethyltrans-1,4-cyclohexanedicarboxylate, AI3-28580, AI3-52224, 1,4-dimethyl cyclohexane-1,4-dicarboxylate, 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester, trans-, 1,4-Cyclohexanedicarboxylic Acid Dimethyl Ester, LNGAGQAGYITKCW-UHFFFAOYSA-N, (1s,4s)-dimethyl cyclohexane-1,4-dicarboxylate, 35IVG3419I, UNII-TF036NGH12, 1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester, trans-Cyclohexane-1,4-dicarboxylic acid dimethyl ester, Dimethyl cis-1,4-cyclohexanedicarboxylate, DSSTox_CID_6566, DSSTox_RID_78154, CIS-1,4-DIMETHYL CYCLOHEXANEDICARBOXYLATE, DSSTox_GSID_26566, trans-1,4-Cyclohexanedicarboxylic Acid Dimethyl Ester, TF036NGH12, CAS-94-60-0, DMCHDC, methyl 4-(methoxycarbonyl)cyclohexanecarboxylate, Dimethyl trans-1,4-cyclohexanedicarboxylate, 99+%, Maybridge1_003749, Dimethyl 1,4-cyclohexanedicarboxylate, cis-, Cis-dimethyl 1,4-cyclohexanedicarboxylate, ACMC-20al7e, DSSTox_CID_9255, Dimethyl 1,4-cyclohexanedicarboxylate, trans-, ACMC-209i4c, EC 202-347-5, AC1L1O8A, DSSTox_RID_78736, DSSTox_GSID_29255, SCHEMBL74396, Cis-1,4-cyclohexanedicarboxylic acid dimethyl ester, KSC489S3L, AC1Q43W7, SCHEMBL2200767, SCHEMBL2948892, SCHEMBL4547603, CHEMBL1894902, CHEMBL3186827, CTK1B8037, CTK4H1570, HMS552C09, KS-00000BJF, KS-00000KTI, LNGAGQAGYITKCW-ZKCHVHJHSA-N, ZINC388457, ACT09563, BCP26700, CS-D0993, NSC76564, Tox21_200477, Tox21_202298, Tox21_303293, 4039AB, 4040AB, ANW-27754, dimethylcyclohexane-1,4-dicarboxylate, MFCD00001460, MFCD00216473, NSC-76564, SBB059394, 1,4 dimethyl cyclohexane dicarboxylate, AKOS009158654, AKOS015850869, ZINC100003916, ZINC100017991, AM81220, CD-1928, DS-5422, MCULE-2868709429, NE10101, RP17487, SB11028, TRA0062428, dimethyl 1, 4-cyclohexane-dicarboxylate, KS-00000R02, Dimethyl trans-1,4-cyclohexanedicarboxyl, NCGC00164087-01, NCGC00164087-02, NCGC00164087-03, NCGC00257190-01, NCGC00258031-01, NCGC00259847-01, AJ-20631, AK-65242, AK118878, AN-24295, AS-30076, CJ-03258, P185, SC-28372, SC-65369, SY012683, SY013155, ZB011526, CAS-3399-22-2, DB-007437, DB-031978, LS-171505, LS-195348, ST2419251, TC-062876, TL8005965, TR-030698, AM20070482, CS-0049615, D3723, Dimethyl cyclohexane-trans-1,4-dicarboxylate, FT-0080538, FT-0606821, FT-0634832, FT-0686231, ST24050220, ST50306952, DIMETHYL 1,4-CYCLOHEXANE-DICARBOXYLATE, EN300-36447, MFCD00063917 (98%), (1r,4r)-dimethylcyclohexane-1,4-dicarboxylate, K-7799, MFCD00001460 (97+%), DIMETHYLTRANS-CYCLOHEXANE-1,4-DICARBOXYLATE, 1,4-Cyclohexanedicarboxylicacid, 1,4-diMethyl ester, Dimethyl trans-cyclohexane-1,4-dicarboxylate, 99%, I14-6251, J-019410, W-109053, 1,4-dimethyl (1s,4s)-cyclohexane-1,4-dicarboxylate, I14-10346, trans-1,4-Cyclohexanedicarboxylic acid, dimethyl ester, 1,4-Cyclohexanedicarboxylic acid, dimethyl ester, cis-, 1alpha,4beta-Cyclohexanedicarboxylic acid dimethyl ester, Cyclohexane-1alpha,4alpha-dicarboxylic acid dimethyl ester, UNII-TF036NGH12 component LNGAGQAGYITKCW-OCAPTIKFSA-N, UNII-TF036NGH12 component LNGAGQAGYITKCW-ZKCHVHJHSA-N, Dimethyl cyclohexane-1,4-dicarboxylate, mixture of cis and trans, 97%, Dimethyl cyclohexane-1,4-dicarboxylate, technical, cis+trans, >=90% (GC), C10H16O4, CID7198, dimethylcyclohexan-1,4-dicarboxylat, c1154, C10-H16-O4, Dimethyl-trans-cyclohexane-1,4-dicarboxylate, A15495, Dimethyl 1,4-cyclohexanedicarboxylate, cis + trans, DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE (CIS & TRANS), Dimethyl trans-1,4-cyclohexanedicarboxylate, 97% - 1G 1g, Dimethyl 1,4-cyclohexanedicarboxylate, mixture of cis and trans, 90 - 95% - 100G 100g,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.105g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.234g/mol
Monoisotopic Mass	200.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

Lot Number