AG0004C5

10138-59-7 | 1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester

AG0004C5

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CAS Number	10138-59-7
Catalog Number	AG0004C5(AGN-PC-07826N)
Chemical Name	1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester
IUPAC Name	diethyl cyclohexane-1,2-dicarboxylate
InChI	InChI=1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3
InChI Key	ZTUZDYWYNQDJKR-UHFFFAOYSA-N
MDL Number	MFCD00029449
Molecular Formula	C12H20O4
Molecular Weight	228.2848
NSC Number	408342
SMILES	O=C(C1C(C(OCC)=O)CCCC1)OCC
Synonyms	Diethyl cyclohexane-1,2-dicarboxylate, 10138-59-7, Diethyl hexahydrophthalate, Hexahydrophthalic acid diethyl ester, 1,2-Cyclohexanedicarboxylic Acid Diethyl Ester, Diethylester kyseliny hexahydrftalove, CYCLOHEXANE-1,2-DICARBOXYLIC ACID, DIETHYL ESTER, 1,2-Cyclohexanedicarboxylic acid, diethyl ester, NSC 408342, AI3-05567, Diethylester kyseliny hexahydrftalove [Czech], cyclohexane-1,2-dicarboxylic acid diethyl ester, ZTUZDYWYNQDJKR-UHFFFAOYSA-N, trans-Diethyl cyclohexane-1,2-dicarboxylate, diethylhexahydrophthalate, AC1L2NTC, ACMC-209e6v, ACMC-209e6w, ACMC-1BU08, Cyclohexane-1, diethyl ester, SCHEMBL234644, WLN: L6TJ AVO2 BVO2, diethylesterkyselinyhexahydrftalove, Diethyl1,2-Cyclohexanedicarboxylate, Diethyl 1,2-cyclohexanedicarboxylate, ANW-14461, MFCD00029449, NSC408342, AKOS015907330, Diethyl 1,2-cyclohexanedicarboxylate #, MCULE-1279218630, NSC-408342, KS-0000167W, BC678612, CC-02850, LS-56778, O066, 1,2-diethyl cyclohexane-1,2-dicarboxylate, AX8053095, TC-103206, cyclohexane-1,2-dicarboxylicacid,diethylester, D3713, FT-0606324, (1RS,2RS)-diethyl cyclohexane-1,2-dicarboxylate, C-13095, 1,2-CYCLOHEXANE DICARBOXYLIC ACID DIETHYLESTER, 1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester, I14-20862, 1, diethyl ester, DIETHYL PHTHALATE, C12H20O4, CID24990, c0476, Diethyl cis-1,2-Cyclohexanedicarboxylate, C12-H20-O4, Diethyl trans-1,2-Cyclohexanedicarboxylate, (1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate, 17351-07-4, cis-1,2-Cyclohexanedicarboxylic Acid Diethyl Ester, 17351-22-3, 84-66-2,

Complexity	223
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	2
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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