| CAS Number | 1042541-93-4 |
| Catalog Number | AG019MDQ(AGN-PC-0WO2F7) |
| Chemical Name | 2-(3-Methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-yl)acetic acid |
| IUPAC Name | 2-(3-methyl-5-oxo-4H-1,2-oxazol-4-yl)acetic acid |
| InChI | InChI=1S/C6H7NO4/c1-3-4(2-5(8)9)6(10)11-7-3/h4H,2H2,1H3,(H,8,9) |
| InChI Key | ZPCMDJHCJUQSQQ-UHFFFAOYSA-N |
| MDL Number | MFCD10686784 |
| Molecular Formula | C6H7NO4 |
| Molecular Weight | 157.1241 |
| SMILES | CC1C(CC(O)=O)C(=O)ON=1 |
| Synonyms | 2-(3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-yl)acetic acid,
1042541-93-4,
(3-methyl-5-oxo-4,5-dihydroisoxazol-4-yl)acetic acid,
AC1Q2Q7E,
CTK7J2019,
AKOS009202783,
MCULE-9915939450,
EN300-35858,
Z367451146,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.125g/mol |
| Monoisotopic Mass | 157.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number