CAS 1131-94-8 | 2-(3-Hydroxy-4-methoxyphenyl)acetic acid | CAS Number 1131-94-8

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1131-94-8 | 2-(3-Hydroxy-4-methoxyphenyl)acetic acid

CAS No: 1131-94-8 Catalog No: AG003JJS MDL No:MFCD00016829

Product Description

Catalog Number:

AG003JJS

Chemical Name:

2-(3-Hydroxy-4-methoxyphenyl)acetic acid

CAS Number:

1131-94-8

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

MDL Number:

MFCD00016829

IUPAC Name:

2-(3-hydroxy-4-methoxyphenyl)acetic acid

InChI:

InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)

InChI Key:

BWXLCOBSWMQCGP-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1O)CC(=O)O

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.175g/mol

Monoisotopic Mass:

182.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Biocatalytic organic synthesis of optically pure (S)-scoulerine and berbine and benzylisoquinoline alkaloids.	The Journal of organic chemistry 20110819
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501