AG003LRR

6603-71-0 | 4-Methylcyclohexaneacetic acid, mixture of cis and trans

AG003LRR

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CAS Number	6603-71-0
Catalog Number	AG003LRR(AGN-PC-0KXFH3)
Chemical Name	4-Methylcyclohexaneacetic acid, mixture of cis and trans
IUPAC Name	2-(4-methylcyclohexyl)acetic acid
InChI	InChI=1S/C9H16O2/c1-7-2-4-8(5-3-7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key	OQZGYMRYZAKXAF-UHFFFAOYSA-N
MDL Number	MFCD00074993
Molecular Formula	C9H16O2
Molecular Weight	156.2221
SMILES	O=C(O)CC1CCC(C)CC1
Synonyms	2-(4-methylcyclohexyl)acetic Acid, 6603-71-0, 7132-93-6, trans-(4-Methyl-cyclohexyl)-acetic acid, 2-(trans-4-Methylcyclohexyl)acetic acid, 4-METHYLCYCLOHEXANEACETIC ACID, MFCD00074993, 4-Methylcyclohexaneacetic acid, mixture of cis and trans, 2-((1r,4r)-4-methylcyclohexyl)acetic acid, 2-[(1r,4r)-4-methylcyclohexyl]acetic acid, trans-(4-Methyl-cyclohexyl)-aceticacid, AC1MUE4D, 4-Methylcyclohexylessigsaure, AC1Q2QR9, SCHEMBL503733, SCHEMBL939588, 4-methylcyclohexyl acetic acid, 4-methyl-cyclohexaneacetic acid, SCHEMBL10280135, SCHEMBL12910421, SCHEMBL17429993, CTK2F2170, CTK5D3878, OQZGYMRYZAKXAF-UHFFFAOYSA-N, Cyclohexaneacetic acid, 4-methyl-, ZINC389560, ALBB-031359, MFCD06796533, AKOS006345719, AKOS009157098, ZINC100004382, ZINC238482159, NE41917, AS-35416, DA-04546, 4alpha-Methylcyclohexane-1beta-acetic acid, 4alpha-Methylcyclohexane-1alpha-acetic acid, AB0073157, AX8039975, FT-0696659, AZ0001-0570, EN300-78603, A13970, X-1823, rel-2-[(1r,4r)-4-methylcyclohexyl]acetic acid, M112075, I04-9441, 4-Methylcyclohexaneacetic acid mixture of cis and trans, 4-Methylcyclohexaneacetic acid, mixture of cis and trans, 97%, 4-METHYLCYCLOHEXANEACETIC ACID, 97%, MIX TURE OF CIS AND TRANS, 4-Methylcyclohexane acetic acid, (cis-4-methyl-cyclohexyl)-acetic acid, CID3616945, 7132-95-8,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.115g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.225g/mol
Monoisotopic Mass	156.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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