AG003BHF

111969-64-3 | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2,2-dihydroxyacetate

AG003BHF

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CAS Number	111969-64-3
Catalog Number	AG003BHF(AGN-PC-0P2SQA)
Chemical Name	(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2,2-dihydroxyacetate
IUPAC Name	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
InChI	InChI=1S/C12H22O4/c1-7(2)9-5-4-8(3)6-10(9)16-12(15)11(13)14/h7-11,13-14H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChI Key	BWZMJRSMHQDFIT-KXUCPTDWSA-N
MDL Number	MFCD04037548
Molecular Formula	C12H22O4
Molecular Weight	230.3007
SMILES	O=C(O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1)C(O)O
Synonyms	111969-64-3, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2,2-Dihydroxyacetate, (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl dihydroxy-acetate, (-)-Menthyl 2,2-Dihydroxyacetate, MFCD00154508, 953806-67-2, L-MENTHYL 2,2-DIHYDROXYACETATE, L-Menthylglyoxylate hydrate, AC1OL409, SCHEMBL12186820, ZINC4826665, ANW-16355, CM0084, MFCD00792503, AKOS015856255, RL00480, KS-0000028X, AJ-52410, AK161631, AS-46489, BC222486, OR302743, SC-44320, AX8017546, TC-105100, FT-0642735, I0790, ST24033580, 315M617, J-500327, (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl di, D,L-2-Isopropyl-5-methylcyclohexyl 2,2-dihydroxyacetate, 2,2-Dihydroxyacetic acid (1R,3R,4S)-p-menth-3-yl ester, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate, 2,2-Dihydroxyacetic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester, L-Menthyl Glyoxylate Hydrate, L-menthyl glyoxylate, BWZMJRSMHQDFIT-KXUCPTDWSA-N, ZINC05240370, ACN-046422, CID7373179, Glyoxylic acid (1R)-menthyl ester hydrate, EC 416-810-6, 2S-isopropyl-5R-methyl-1R-cyclohexyl 2,2-dihydroxyacetate, 26315-61-7,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	230.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.304g/mol
Monoisotopic Mass	230.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H318-H373-H411
Packing Group	Ⅲ
Precautionary statements	P273-P280-P305+P351+P338-P310
UN Code	UN 3077

Certificate of Analysis

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