AG002F8X

19145-96-1 | 1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester, trans-

AG002F8X

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CAS Number	19145-96-1
Catalog Number	AG002F8X(AGN-PC-0O660B)
Chemical Name	1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester, trans-
EC Number	417-310-0
IUPAC Name	diethyl cyclohexane-1,4-dicarboxylate
InChI	InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChI Key	KRJHRNUTLDTSKY-UHFFFAOYSA-N
MDL Number	MFCD10566896
Molecular Formula	C12H20O4
Molecular Weight	228.2848
NSC Number	78975
SMILES	O=C([C@H]1CC[C@H](C(OCC)=O)CC1)OCC
Synonyms	19145-96-1, diethyl cyclohexane-1,4-dicarboxylate, 72903-27-6, (1R,4R)-DIETHYL CYCLOHEXANE-1,4-DICARBOXYLATE, Diethyl trans-1,4-Cyclohexanedicarboxylate, Diethyl 1,4-cyclohexanedicarboxylate, 1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester, Diethyltrans-1,4-cyclohexanedicarboxylate, NSC78975, AC1L5QHG, ACMC-209ev0, EC 417-310-0, AC1Q64HT, 1,4-Cyclohexanedicarboxylic acid, diethyl ester, NCIOpen2_004296, SCHEMBL237380, SCHEMBL2375356, SCHEMBL8891623, DTXSID0052469, AMCH00034, CTK4E0667, CTK5D7027, KS-000015AX, ZINC1719268, 1321AC, 9949AA, ANW-23530, MFCD10566896, NSC-78975, Diethyl=cyclohexane-1,4-dicarboxylate, AKOS015833095, AKOS015900100, ZINC100011344, ZINC167983186, AJ-30953, SC-28262, 1,4-diethyl cyclohexane-1,4-dicarboxylate, AX8235687, TR-008882, trans-Diethyl cyclohexane-1,4-dicarboxylate, AM20070463, D3639, FT-0749439, cyclohexane-1,4-dicarboxylic acid diethyl ester, 1,4-Cyclohexanedicarboxylicacid, 1,4-diethyl ester, I14-10306, trans-1,4-Cyclohexanedicarboxylic Acid Diethyl Ester, 1alpha,4alpha-Cyclohexanedicarboxylic acid diethyl ester, 1alpha,4beta-Cyclohexanedicarboxylic acid diethyl ester, 1,4-Cyclohexanedicarboxylicacid, 1,4-diethyl ester, trans-, trans-1,4-Cyclohexanedicarboxylic acid 1,4-diethyl ester, C12H20O4, Diethylcyclohexane-1,4-dicarboxylate, AR-1I4659, CID254555, diethyl 1,4-cyclohexane dicarboxylate, C12-H20-O4, 1,4-cyclohexanedicarboxylicacid,diethylester, (1R,4R)-Diethylcyclohexane-1,4-dicarboxylate, A15341, 7357-73-5,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.136g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.288g/mol
Monoisotopic Mass	228.136g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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