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Anthranilic acid

CAT: 1596-AR-B05797-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
118-92-3
Synonyms
2-Amino-Benzoic Acid
Molecular Formula
C7H7NO2
Molecular Weight
137.14
API Name
Benzoic Acid

Chemical Information

Anthranilic Acid

Anthranilic acid is an aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. It has a role as a mouse metabolite and a human metabolite. It is a conjugate acid of an anthranilate.

CAS Number118-92-3
PubChem CID227
IUPAC Name2-aminobenzoic acid
Molecular FormulaC7H7NO2
Molecular Weight137.14
XLogP1.2
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
C1=CC=C(C(=C1)C(=O)O)N
InChI
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
RWZYAGGXGHYGMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anthranilic Acid
CAS: 118-92-3
CID: 227
Formula: C7H7NO2
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass137.047678466
Monoisotopic Mass137.047678466
Topological Polar Surface Area63.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
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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