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3-Aminobenzoic acid

CAT: 0013-GTR19250582-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250582-01Size:1 g
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Description
3-Aminobenzoic acid
CAS Number
99-05-8
Product Name Alternative
Compound PDK0420
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
NC1=CC=CC (=C1) C (O) =O
Molecular Formula
C7H7NO2
Molecular Weight
137.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Aminobenzoic Acid

3-aminobenzoic acid is an aminobenzoic acid carrying an amino group at position 3. It is functionally related to a benzoic acid. It is a conjugate acid of a 3-aminobenzoate.

CAS Number99-05-8
PubChem CID7419
IUPAC Name3-aminobenzoic acid
Molecular FormulaC7H7NO2
Molecular Weight137.14
XLogP0.1
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(=CC(=C1)N)C(=O)O
InChI
InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
XFDUHJPVQKIXHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminobenzoic Acid
CAS: 99-05-8
CID: 7419
Formula: C7H7NO2
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP30.1
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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