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822-63-9 | 3(2H)-Isoxazolone,5-amino-
CAS No: 822-63-9 Catalog No: AG005GI8 MDL No:MFCD00175393
Product Description
Catalog Number:
AG005GI8
Chemical Name:
3(2H)-Isoxazolone,5-amino-
CAS Number:
822-63-9
Molecular Formula:
C3H4N2O2
Molecular Weight:
100.0761
MDL Number:
MFCD00175393
IUPAC Name:
5-amino-1,2-oxazol-3-one
InChI:
InChI=1S/C3H4N2O2/c4-2-1-3(6)5-7-2/h1H,4H2,(H,5,6)
InChI Key:
SBAQXOKGHJGIGF-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]o1
NSC Number:
58894
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.027g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
100.077g/mol
Monoisotopic Mass:
100.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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