CAS 3177-80-8 | 2-Amino-3-Methoxybenzoic Acid | CAS Number 3177-80-8

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3177-80-8 | 2-Amino-3-Methoxybenzoic Acid

CAS No: 3177-80-8 Catalog No: AG003330 MDL No:MFCD00075178

Product Description

Catalog Number:

AG003330

Chemical Name:

2-Amino-3-Methoxybenzoic Acid

CAS Number:

3177-80-8

Molecular Formula:

C8H9NO3

Molecular Weight:

167.1620

MDL Number:

MFCD00075178

IUPAC Name:

2-amino-3-methoxybenzoic acid

InChI:

InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)

InChI Key:

SXOPCLUOUFQBJV-UHFFFAOYSA-N

SMILES:

COc1cccc(c1N)C(=O)O

NSC Number:

81443

Properties

Complexity:

172

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.164g/mol

Monoisotopic Mass:

167.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Copper(II) interactions with non-steroidal anti-inflammatory agents. III--3-Methoxyanthranilic acid as a potential *OH-inactivating ligand: a quantitative investigation of its copper handling role in vivo.	Journal of inorganic biochemistry 20060301