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88423-12-5 | 3-Pyridinecarboxamide, N-hydroxy-2-isocyanato-
CAS No: 88423-12-5 Catalog No: AG004HTN MDL No:
Product Description
Catalog Number:
AG004HTN
Chemical Name:
3-Pyridinecarboxamide, N-hydroxy-2-isocyanato-
CAS Number:
88423-12-5
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
IUPAC Name:
N-hydroxy-2-isocyanatopyridine-3-carboxamide
InChI:
InChI=1S/C7H5N3O3/c11-4-9-6-5(7(12)10-13)2-1-3-8-6/h1-3,13H,(H,10,12)
InChI Key:
NQNPFMHQYHZHET-UHFFFAOYSA-N
SMILES:
O=C=Nc1ncccc1C(=O)NO
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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