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17816-85-2 | 4(5H)-Oxazolone, 2-amino-
CAS No: 17816-85-2 Catalog No: AG0025SI MDL No:MFCD00807941
Product Description
Catalog Number:
AG0025SI
Chemical Name:
4(5H)-Oxazolone, 2-amino-
CAS Number:
17816-85-2
Molecular Formula:
C3H4N2O2
Molecular Weight:
100.0761
MDL Number:
MFCD00807941
IUPAC Name:
2-amino-1,3-oxazol-4-one
InChI:
InChI=1S/C3H4N2O2/c4-3-5-2(6)1-7-3/h1H2,(H2,4,5,6)
InChI Key:
KVUPQEKUVSNRCD-UHFFFAOYSA-N
SMILES:
O=C1COC(=N1)N
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.077g/mol
Monoisotopic Mass:
100.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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