Hydroxyanthranilic acid

Hydroxyanthranilic acid
Compound Structure:
Synonyms: 2-amino-3-hydroxybenzoic acid; 3-Hydroxyanthranilic acid; 3-Oxyanthranilic acid; 3-hydroxyanthranilate; Anthranilic acid, 3-hydroxy-; Benzoic acid, 2-amino-3-hydroxy-; 3-Ohaa; 3-Hydroxy-anthranilsaeure; 3-Hydroxy anthranilic acid; 3-Hydroxy-2-aminobenzoic
Compound ID: NMPC-1136
PubChem ID:

86
Molecular Formula: C7H7NO3
Canonical SMILES: C1=CC(=C(C(=C1)O)N)C(=O)O
InChIKey: WJXSWCUQABXPFS-UHFFFAOYSA-N
About the compound:

3-hydroxyanthranilic acid is an aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan. It has a role as a human metabolite and a mouse metabolite. It is an aminobenzoic acid and a monohydroxybenzoic acid. It is functionally related to an anthranilic acid. It is a conjugate acid of a 3-hydroxyanthranilate. It is a tautomer of a 2,3-dihydro-3-oxoanthranilic acid.

GHS Hazard Statements

• H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

• H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H332 (95%): Harmful if inhaled [Warning Acute toxicity, inhalation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

• H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

153.14 g/mol

XLogP3

0.9

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

1

Exact Mass

153.042593085 g/mol

Monoisotopic Mass

153.042593085 g/mol

Topological Polar Surface Area

83.6Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

160

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

240°C

Solubility 

slightly sol in water, sol in hot water, alcohol, ether; sol in chloroform

Source: PubChem                        
Source Species: Landolphia owariensis
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