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1224594-00-6 | 5-Isoxazolecarboxamide, 3-nitro-
CAS No: 1224594-00-6 Catalog No: AG001796 MDL No:
Product Description
Catalog Number:
AG001796
Chemical Name:
5-Isoxazolecarboxamide, 3-nitro-
CAS Number:
1224594-00-6
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
IUPAC Name:
3-nitro-1,2-oxazole-5-carboxamide
InChI:
InChI=1S/C4H3N3O4/c5-4(8)2-1-3(6-11-2)7(9)10/h1H,(H2,5,8)
InChI Key:
RFRDBWSKPRIDQF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1noc(c1)C(=O)N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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