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115581-96-9 | 1,2-Benzenedicarboxamide, 4-amino-
CAS No: 115581-96-9 Catalog No: AG000G7B MDL No:
Product Description
Catalog Number:
AG000G7B
Chemical Name:
1,2-Benzenedicarboxamide, 4-amino-
CAS Number:
115581-96-9
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
4-aminobenzene-1,2-dicarboxamide
InChI:
InChI=1S/C8H9N3O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H,9H2,(H2,10,12)(H2,11,13)
InChI Key:
NEGAQAGLUFPCCU-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(=O)N)C(=O)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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