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2,3-Diaminobenzoic acid

CAT: 0926-FD03094-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FD03094-01Size:10 g
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CAS Number
603-81-6
MDL Number
MFCD00137818
Smiles
C1=CC (=C (C (=C1) N) N) C (=O) O
Molecular Formula
C7H8N2O2
Molecular Weight
152.15 g/mol
Controlled
No

Chemical Information

2,3-Diaminobenzoic acid
CAS Number603-81-6
PubChem CID198069
IUPAC Name2,3-diaminobenzoic acid
Molecular FormulaC7H8N2O2
Molecular Weight152.15
XLogP0.5
Topological Polar Surface Area89.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
C1=CC(=C(C(=C1)N)N)C(=O)O
InChI
InChI=1S/C7H8N2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H,10,11)
InChIKey
KKTUQAYCCLMNOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Diaminobenzoic acid
CAS: 603-81-6
CID: 198069
Formula: C7H8N2O2
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass152.058577502
Monoisotopic Mass152.058577502
Topological Polar Surface Area89.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
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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