AG00HA8W

10399-13-0 | Methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

AG00HA8W

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CAS Number	10399-13-0
Catalog Number	AG00HA8W(AGN-PC-09TFJZ)
Chemical Name	Methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
EC Number	233-862-3
IUPAC Name	methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
InChI	InChI=1S/C15H20O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13,17H,3,6-7,10-11H2,1H3
InChI Key	SPTZOODMHSABLY-UHFFFAOYSA-N
MDL Number	MFCD00269807
Molecular Formula	C15H20O3
Molecular Weight	248.3175
SMILES	O=C(OC)C(O)(C1CCCCC1)C2=CC=CC=C2
Synonyms	MCHPG, methyl cyclohexylphenylglycolate, 10399-13-0, methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate, Methyl cyclohexylphenylglycolate, Methyl alpha-cyclohexylmandelate, CYCLOHEXYLMANDELIC ACID METHYL ESTER, Methyl cyclohexyl mandelate, Methyl 2-Cyclohexyl-2-hydroxyphenylacetate, W-108833, Oxybutynin impurity, EINECS 233-862-3, AC1L3AKY, Methyl |A-Cyclohexylmandelate, SCHEMBL1610849, Jsp000401, CTK4A2580, SPTZOODMHSABLY-UHFFFAOYSA-N, BCP12174, DT1034, MFCD00269807, AKOS015914952, VZ31636, Methyl |A-Cyclohexyl-|A-phenylglycolate, AC-24404, AK122464, AS-19702, Cyclohexylphenylglycolic acid methyl ester, Phenylcyclohexylglycolic Acid Methyl Ester, SC-17911, AX8016078, 4CH-024805, CYCLOHEXYL MANDELIC ACID METHYL ESTER, FT-0628700, ST24047707, Methyl 2-Hydroxy-2-cyclohexyl-2-phenylacetate, C-15221, methyl alpha-cyclohexyl-alpha-hydroxybenzeneacetate, I14-6879, Benzeneacetic acid, a-cyclohexyl-a-hydroxy-, methyl ester, methyl 2-(6-cyclohexyl-6-hydroxycyclohexa-2,4-dien-1-yl)acetate, Methyl (RS)-2-Cyclohexyl-2-hydroxy-2-phenylacetate (Phenylcyclohexylglycolic Acid Methyl Ester), UNII-3B92G18V2B, 3B92G18V2B, C15H20O3, CID112035, C15-H20-O3, |A-Phenylcyclohexaneglycolic Acid Methyl Ester, METHYL 2-CYCLOHEXYL-2-HYDROXY-PHENYLACETATE, |A-Cyclohexyl-|A-hydroxybenzeneacetic Acid Methyl Ester,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.141g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.322g/mol
Monoisotopic Mass	248.141g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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