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1263378-07-9 | 1-Oxazol-5-yl-ethanone
CAS No: 1263378-07-9 Catalog No: AG009K1S MDL No:MFCD18432567
Product Description
Catalog Number:
AG009K1S
Chemical Name:
1-Oxazol-5-yl-ethanone
CAS Number:
1263378-07-9
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD18432567
IUPAC Name:
1-(1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C5H5NO2/c1-4(7)5-2-6-3-8-5/h2-3H,1H3
InChI Key:
UWWWCKACGPJBLQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnco1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis of 5-acetyloxazoles and 1,2-diketones from β-alkoxy-β-ketoenamides and their subsequent transformations. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110627 |
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