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13300-88-4 | 1,2,5-Oxadiazole-3-carboxamide, 4-amino-
CAS No: 13300-88-4 Catalog No: AG0011IP MDL No:MFCD00460523
Product Description
Catalog Number:
AG0011IP
Chemical Name:
1,2,5-Oxadiazole-3-carboxamide, 4-amino-
CAS Number:
13300-88-4
Molecular Formula:
C3H4N4O2
Molecular Weight:
128.0895
MDL Number:
MFCD00460523
IUPAC Name:
4-amino-1,2,5-oxadiazole-3-carboxamide
InChI:
InChI=1S/C3H4N4O2/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)
InChI Key:
NQUIGUVMOCOCDD-UHFFFAOYSA-N
SMILES:
NC(=O)c1nonc1N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.091g/mol
Monoisotopic Mass:
128.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| (Z)-4-Amino-1,2,5-oxadiazole-3-carboxamide oxime. | Acta crystallographica. Section E, Structure reports online 20091101 |
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