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150479-67-7 | 1,3-Benzenedicarboxamide, 2-amino-
CAS No: 150479-67-7 Catalog No: AG001MNI MDL No:
Product Description
Catalog Number:
AG001MNI
Chemical Name:
1,3-Benzenedicarboxamide, 2-amino-
CAS Number:
150479-67-7
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
2-aminobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C8H9N3O2/c9-6-4(7(10)12)2-1-3-5(6)8(11)13/h1-3H,9H2,(H2,10,12)(H2,11,13)
InChI Key:
LEWLHZXCXRLJQE-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1N)C(=O)N
Properties
Complexity:
207
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:
-0.5
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