AG003HL8

56586-13-1 | 2-Methylcyclohexanecarboxylic acid

AG003HL8

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CAS Number	56586-13-1
Catalog Number	AG003HL8(AGN-PC-0360XN)
Chemical Name	2-Methylcyclohexanecarboxylic acid
IUPAC Name	2-methylcyclohexane-1-carboxylic acid
InChI	InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key	VSKXJRZPVDLHFY-UHFFFAOYSA-N
MDL Number	MFCD00074907
Molecular Formula	C8H14O2
Molecular Weight	142.1956
SMILES	O=C(C1C(C)CCCC1)O
Synonyms	2-Methylcyclohexanecarboxylic acid, 56586-13-1, 2-Methyl-1-cyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 2-methyl-, VSKXJRZPVDLHFY-UHFFFAOYSA-N, trans-2-Methylcyclohexanecarboxylic acid, 2-methylcyclohexane-1-carboxylic acid, 2-Methyl-2-cyclohexanoic acid, 15177-62-5, EINECS 239-227-7, EINECS 260-272-3, 2-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans, AI3-21681, AI3-33905, SCHEMBL301766, CTK1G9831, 2-methyl-cyclohexanecarboxylic acid, ALBB-031361, Cyclohexanecarboxylicacid, 2-methyl-, STK281789, AKOS005426720, CS-W018286, MCULE-3305682191, KS-00001A96, AS-39427, SC-13884, (+/-)-cis-2-methylcyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 2-methyl-, trans-, (+/-)-2-methyl-1-cyclohexane-carboxylic acid, 2-Methyl-1-cyclohexanecarboxylic acid, mixture of, 2-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans, 99%, 20993-76-4, AC1L3A9K, AC1Q5U5G, AC1Q2R11, 2-METHYLCYCLOHEXYLFORMATE, CID85811, AR-1I2995, C8-H14-O2, 2-METHYL-1-CYCLOHEXANECARBOXYLICACID, I04-9082, 5726-28-3, 7077-04-5, 73532-83-9,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.09938g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.2g/mol
Monoisotopic Mass	142.09938g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3Ų
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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