AG003OZ4

4841-85-4 | Cis-4-cyclohexene-1,2-dicarboxylic acid diethyl ester

AG003OZ4

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CAS Number	4841-85-4
Catalog Number	AG003OZ4(AGN-PC-0RZM64)
Chemical Name	Cis-4-cyclohexene-1,2-dicarboxylic acid diethyl ester
IUPAC Name	diethyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate
InChI	InChI=1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10+
InChI Key	OWVOHDKOANTMJU-AOOOYVTPSA-N
MDL Number	MFCD00029512
Molecular Formula	C12H18O4
Molecular Weight	226.2689
SMILES	CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OCC
Synonyms	4841-85-4, cis-4-Cyclohexene-1,2-dicarboxylic Acid Diethyl Ester, Diethyl cis-4-Cyclohexene-1,2-dicarboxylate, SCHEMBL11311453, CTK4J0804, 4-Cyclohexene-1,2-dicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel-, ANW-30661, ZINC17161182, AS-50376, TC-119406, CS-0057939, FT-0602082, 3-(Butan-2-yl)-6-methoxy cyclohexa-1,4-diene, J-803009, I14-62024, 1,2-Diethyl (1R,2S)-rel-cyclohex-4-ene-1,2-dicarboxylate, NSC406940, CID11276195, cis-4-Cyclohexene-1,2-dicarboxylicAcidDiethylEster,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	226.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.272g/mol
Monoisotopic Mass	226.121g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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