AG003BBN

40248-63-3 | 2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetic acid

AG003BBN

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CAS Number	40248-63-3
Catalog Number	AG003BBN(AGN-PC-0O9ZW1)
Chemical Name	2-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)acetic acid
IUPAC Name	2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid
InChI	InChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)
InChI Key	CILPHQCEVYJUDN-UHFFFAOYSA-N
MDL Number	MFCD00001483
Molecular Formula	C12H22O3
Molecular Weight	214.3013
NSC Number	43708
SMILES	C(C)(C)[C@H]1[C@@H](C[C@@H](CC1)C)OCC(=O)O
Synonyms	(-)-Menthyloxyacetic acid, (-)-Menthoxyacetic acid, L-Menthoxyacetic acid, 40248-63-3, 71420-37-6, Levo-menthoxyacetic acid, menthoxyacetic acid, [(2-Isopropyl-5-methylcyclohexyl)oxy]acetic acid, CILPHQCEVYJUDN-UHFFFAOYSA-N, 2-((2-Isopropyl-5-methylcyclohexyl)oxy)acetic acid, 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid, 2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetic acid, (+)-Menthyloxyacetic acid, (-)-Menthyl carboxymethyl ether, [[(2S)-2-ISOPROPYL-5-METHYLCYCLOHEXYL]OXY]ACETIC ACID, L-p-Menth-3-yloxyacetic acid, EINECS 254-857-2, EINECS 275-438-0, (Menthyloxy)acetic acid, AC1Q5WPV, ACMC-1BFF0, AC1L3ZB3, AC1Q1P0J, Oprea1_044396, SCHEMBL473782, ((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid, CILPHQCEVYJUDN-UHFFFAOYSA-, CTK4I2723, 6070-21-9, NSC43708, ANW-29335, NSC-43708, STL329179, AKOS000201237, AKOS022098785, MCULE-1924855870, TRA0000110, CS-11115, SY005833, AB0053714, DB-015169, DB-079788, TR-016072, FT-0659333, EN300-25882, MFCD00001483 (98%), A825010, [(2-Isopropyl-5-methylcyclohexyl)oxy]acetic acid #, I04-0917, {[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetic acid, 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyacetic acid, 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoic acid, Z271137942, Acetic acid,2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, Acetic acid, [[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, [1R-(1.alpha.,2.beta.,5.alpha.)]-, InChI=1/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14), (+)-Menthoxyacetic Acid, KST-1A8017, C12H22O3, CID97814, EINECS 302-700-4, AR-1A8103, C12-H22-O3, CB10905, (-)-Menthyloxyacetic acid, 98% - 1G 1g, [[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid, 94133-41-2, 74228-33-4, (1S-(1alpha,2beta,5alpha))-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid, [1S-(1alpha,2beta,5alpha)]-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid, Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, (1R-(1alpha,2beta,5alpha))-,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.157g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.305g/mol
Monoisotopic Mass	214.157g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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

Lot Number