Name: Name:Benzenepropanoic acid, a-hydroxy-a-methyl-
Brand: Angene
SKU: AG01AKZS
Rating: 90 (10 reviews)

Benzenepropanoic acid, a-hydroxy-a-methyl-

CAS No.:

56269-86-4

Catalog Number:

AG01AKZS

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

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Product Description

Catalog Number:

AG01AKZS

Chemical Name:

Benzenepropanoic acid, a-hydroxy-a-methyl-

CAS Number:

56269-86-4

Molecular Formula:

C10H12O3

Molecular Weight:

180.2005

MDL Number:

MFCD11052529

IUPAC Name:

2-hydroxy-2-methyl-3-phenylpropanoic acid

InChI:

InChI=1S/C10H12O3/c1-10(13,9(11)12)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3,(H,11,12)

InChI Key:

IBIBMVNOBCIJNU-UHFFFAOYSA-N

SMILES:

OC(=O)C(Cc1ccccc1)(O)C

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.203g/mol

Monoisotopic Mass:

180.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Nitrile biotransformations for highly enantioselective synthesis of oxiranecarboxamides with tertiary and quaternary stereocenters; efficient chemoenzymatic approaches to enantiopure alpha-methylated serine and isoserine derivatives.	The Journal of organic chemistry 20050401