AG00C2SE

2484-60-8 | Trans-2-carbomethoxycyclohexane-1-carboxylic acid

AG00C2SE

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CAS Number	2484-60-8
Catalog Number	AG00C2SE(AGN-PC-0R0KHK)
Chemical Name	Trans-2-carbomethoxycyclohexane-1-carboxylic acid
IUPAC Name	(1S,2S)-2-methoxycarbonylcyclohexane-1-carboxylic acid
InChI	InChI=1S/C9H14O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChI Key	BOVPVRGRPPYECC-BQBZGAKWSA-N
MDL Number	MFCD01311243
Molecular Formula	C9H14O4
Molecular Weight	186.2051
SMILES	C(=O)(OC)[C@H]1[C@@H](CCCC1)C(=O)O
Synonyms	2484-60-8, trans-2-Carbomethoxycyclohexane-1-carboxyic acid, TRANS-2-CARBOMETHOXYCYCLOHEXANE-1-CARBOXYLIC ACID, (1S,2S)-2-(Methoxycarbonyl)cyclohexane-1-carboxylic acid, AC1Q41JA, (R,R)-Cyclohexane-1,2-dicarboxylic acid mono-methyl ester, SCHEMBL3944070, DTXSID70641343, ZINC4829079, MFCD01311243, AKOS006278401, Z-1762, (1S,2S)-2-(Methoxycarbonyl)cyclohexanecarboxylic acid, 1,2-cyclohexanedicarboxylic acid,1-methyl ester,(1s,2s)-,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	186.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.207g/mol
Monoisotopic Mass	186.089g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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