CAS 156276-21-0 | Benzeneacetic acid, 2-chloro-α-hydroxy-, methyl ester | CAS Number 156276-21-0

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156276-21-0 | Benzeneacetic acid, 2-chloro-α-hydroxy-, methyl ester

CAS No: 156276-21-0 Catalog No: AG001ON9 MDL No:MFCD09833003

Product Description

Catalog Number:

AG001ON9

Chemical Name:

Benzeneacetic acid, 2-chloro-α-hydroxy-, methyl ester

CAS Number:

156276-21-0

Molecular Formula:

C9H9ClO3

Molecular Weight:

200.6190

MDL Number:

MFCD09833003

IUPAC Name:

methyl 2-(2-chlorophenyl)-2-hydroxyacetate

InChI:

InChI=1S/C9H9ClO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8,11H,1H3

InChI Key:

ZMPGBVQQIQSQED-UHFFFAOYSA-N

SMILES:

COC(=O)C(c1ccccc1Cl)O

Properties

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.618g/mol

Monoisotopic Mass:

200.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Optimization of enantioselective synthesis of methyl (R)-2-chloromandelate by whole cells of Saccharomyces cerevisiae.	Biotechnology letters 20101001
Highly enantioselective and efficient synthesis of methyl (R)-o-chloromandelate with recombinant E. coli: toward practical and green access to clopidogrel.	Organic & biomolecular chemistry 20070421