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15089-84-6 | Benzoic acid, 3-(acetylamino)-5-amino-
CAS No: 15089-84-6 Catalog No: AG001MXR MDL No:
Product Description
Catalog Number:
AG001MXR
Chemical Name:
Benzoic acid, 3-(acetylamino)-5-amino-
CAS Number:
15089-84-6
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
3-acetamido-5-aminobenzoic acid
InChI:
InChI=1S/C9H10N2O3/c1-5(12)11-8-3-6(9(13)14)2-7(10)4-8/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChI Key:
SETVYNZSWPLKAO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(N)cc(c1)C(=O)O
EC Number:
239-143-0
NSC Number:
15500
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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