AG002UQF

111955-05-6 | cis-2-Carbomethoxycyclohexanecarboxylic acid

AG002UQF

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CAS Number	111955-05-6
Catalog Number	AG002UQF(AGN-PC-0P2RZV)
Chemical Name	cis-2-Carbomethoxycyclohexanecarboxylic acid
IUPAC Name	(1R,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+/m1/s1
InChI Key	BOVPVRGRPPYECC-RQJHMYQMSA-N
MDL Number	MFCD01311242
Molecular Formula	C9H14O4
Molecular Weight	186.2051
SMILES	O=C([C@H]1[C@@H](C(OC)=O)CCCC1)O
Synonyms	Cis-2-Carbomethoxycyclohexane-1-Carboxylic Acid, 111955-05-6, A1-01032, (1R,2S)-2-(Methoxycarbonyl)cyclohexanecarboxylic acid, (1R,2S)-2-(METHOXYCARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACID, AK177086, AC1Q41JB, SCHEMBL2953605, CTK4A7591, DTXSID00451674, BOVPVRGRPPYECC-RQJHMYQMSA-N, ZINC401954, KS-00000T7V, ZX-RL005671, 8898AC, FCH843212, MFCD01311242, MFCD18374521, AKOS006278400, DS-9248, OR307029, cis-2-methoxycarbonyl-cyclohexanecarboxylic acid, cis-2-methoxycarbonylcyclohexane-carboxylic acid, K-0935, (1R,2S)-2-(methoxycarbonyl)cyclohexane carboxylic acid, (1S,2R)-cyclohexane-1,2-dicarboxylic acid monomethyl ester, Cyclohexane-1alpha,2alpha-dicarboxylic acid 1-methyl ester, C9H14O4, NSC53943, CID11008624,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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