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3-Hydroxyanthranilic acid

CAT: 0024-sc-216460Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-216460Size:250 mg
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CAS Number
548-93-6

Chemical Information

3-Hydroxyanthranilic Acid

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 mouse metabolite and a human 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.

CAS Number548-93-6
PubChem CID86
IUPAC Name2-amino-3-hydroxybenzoic acid
Molecular FormulaC7H7NO3
Molecular Weight153.14
XLogP0.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C(=C1)O)N)C(=O)O
InChI
InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKey
WJXSWCUQABXPFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyanthranilic Acid
CAS: 548-93-6
CID: 86
Formula: C7H7NO3
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass153.042593085
Monoisotopic Mass153.042593085
Topological Polar Surface Area83.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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