| CAS Number | 81740-16-1 |
| Catalog Number | AG00G8RG(AGN-PC-00POVX) |
| Chemical Name | 1-(2-Methyloxazol-4-yl)ethanone |
| IUPAC Name | 1-(2-methyl-1,3-oxazol-4-yl)ethanone |
| InChI | InChI=1S/C6H7NO2/c1-4(8)6-3-9-5(2)7-6/h3H,1-2H3 |
| InChI Key | ISOKAIBBJGQLEO-UHFFFAOYSA-N |
| MDL Number | MFCD22071533 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| SMILES | CC=1OC=C(N1)C(C)=O |
| Synonyms | 1-(2-Methyloxazol-4-yl)ethanone,
81740-16-1,
Ethanone, 1-(2-methyl-4-oxazolyl)-,
1-(2-methyl-1,3-oxazol-4-yl)ethan-1-one,
SCHEMBL5270512,
1-(2-methyl-oxazol-4-yl)-ethanone,
ZINC59200711,
AKOS022719489,
1-(2-methyl-1,3-oxazol-4-yl)ethanone,
DA-03132,
FT-0722920,
Z2028214439,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number