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81965-22-2 | AMMONIUM 5-(CARBAMOYL)ISOXAZOL-3-OLATE
CAS No: 81965-22-2 Catalog No: AG0055F0 MDL No:
Product Description
Catalog Number:
AG0055F0
Chemical Name:
AMMONIUM 5-(CARBAMOYL)ISOXAZOL-3-OLATE
CAS Number:
81965-22-2
Molecular Formula:
C4H7N3O3
Molecular Weight:
145.1167
IUPAC Name:
azanium;3-oxo-1,2-oxazole-5-carboximidate
InChI:
InChI=1S/C4H4N2O3.H3N/c5-4(8)2-1-3(7)6-9-2;/h1H,(H2,5,8)(H,6,7);1H3
InChI Key:
DCADWYYAJNIWDR-UHFFFAOYSA-N
SMILES:
[O-]c1cc(on1)C(=O)N.[NH4+]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
145.118g/mol
Monoisotopic Mass:
145.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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