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99-05-8 | 3-Aminobenzoic acid
CAS No: 99-05-8 Catalog No: AG0033LD MDL No:MFCD00007795
Product Description
Catalog Number:
AG0033LD
Chemical Name:
3-Aminobenzoic acid
CAS Number:
99-05-8
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00007795
IUPAC Name:
3-aminobenzoic acid
InChI:
InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChI Key:
XFDUHJPVQKIXHO-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)O
EC Number:
202-724-4
UNII:
G2X3B3O37U
NSC Number:
15012
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
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