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89332-57-0 | 2(3H)-Oxazolone, 3-(oxoacetyl)-
CAS No: 89332-57-0 Catalog No: AG003ZF9 MDL No:
Product Description
Catalog Number:
AG003ZF9
Chemical Name:
2(3H)-Oxazolone, 3-(oxoacetyl)-
CAS Number:
89332-57-0
Molecular Formula:
C5H3NO4
Molecular Weight:
141.0816
IUPAC Name:
2-oxo-2-(2-oxo-1,3-oxazol-3-yl)acetaldehyde
InChI:
InChI=1S/C5H3NO4/c7-3-4(8)6-1-2-10-5(6)9/h1-3H
InChI Key:
JGCUSXNBONXKBT-UHFFFAOYSA-N
SMILES:
O=CC(=O)n1ccoc1=O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.006g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.082g/mol
Monoisotopic Mass:
141.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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