AG001RZK

16052-40-7 | Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-

AG001RZK

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CAS Number	16052-40-7
Catalog Number	AG001RZK(AGN-PC-0O4L1H)
Chemical Name	Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-
EC Number	240-199-3
IUPAC Name	(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
InChI	InChI=1S/C11H20O2/c1-7(2)9-5-4-8(3)6-10(9)11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9+,10-/m1/s1
InChI Key	MNVSUVYRIVXDBK-KXUCPTDWSA-N
MDL Number	MFCD00798812
Molecular Formula	C11H20O2
Molecular Weight	184.2753
SMILES	O=C([C@H]1[C@H](C(C)C)CC[C@@H](C)C1)O
UNII	19IQ88IBRI
Synonyms	16052-40-7, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid, UNII-19IQ88IBRI, L-menthol carboxylic acid, 19IQ88IBRI, (1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-, [1R-(1alpha,2beta,5alpha)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acid, p-Menthane-3-carboxylic acid, (1R,3R,4S)-, (1R-(1alpha,2beta,5alpha))-2-(Isopropyl)-5-methylcyclohexanecarboxylic acid, EINECS 240-199-3, (-)-Menthylformicacid, (-)-Menthylformic acid, AC1L393F, SCHEMBL1150651, CTK0H8007, KS-00001FMH, MNVSUVYRIVXDBK-KXUCPTDWSA-N, CS-B1297, ZINC4723080, ANW-53893, CX1223, MFCD00798812, AKOS016000241, FCH1167067, AJ-52085, AK-79894, AX8232214, TC-142638, ST24020112, X7141, Z-4856, Q-201317, (1R,2S,5R)-2-isopropyl-5-methylcyclohexane-1-carboxylic acid, (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylic acid, (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid, (-)-(1R,3R,4S )-4-Isopropyl-1-methylcyclohexane-3-carboxylic acid, (1R)-5beta-Methyl-2alpha-(1-methylethyl)-1beta-cyclohexanecarboxylic acid, Cyclohexanecarboxylicacid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-, 71030-83-6, C11H20O2, CID85256, NSC55371, C11-H20-O2, CB10312, p-Menthane-3-carboxylic acid, (1R,3R,4S)-(-)-, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylicacid, Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2beta,5alpha))-, Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.beta.,5.alpha.)]-,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	184.146g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.279g/mol
Monoisotopic Mass	184.146g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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