| CAS Number | 1008304-86-6 |
| Catalog Number | AG01C461 |
| Chemical Name | 2-(3-Methyl-1,2-oxazol-4-yl)acetic acid |
| IUPAC Name | 2-(3-methyl-1,2-oxazol-4-yl)acetic acid |
| InChI | InChI=1S/C6H7NO3/c1-4-5(2-6(8)9)3-10-7-4/h3H,2H2,1H3,(H,8,9) |
| InChI Key | BQPPLPCARCAHEG-UHFFFAOYSA-N |
| MDL Number | MFCD22070919 |
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.1247 |
| SMILES | CC1C(CC(O)=O)=CON=1 |
| Synonyms | 1008304-86-6,
2-(3-methyl-1,2-oxazol-4-yl)acetic acid,
2-(3-Methylisoxazol-4-yl)acetic acid,
SCHEMBL2223499,
BQPPLPCARCAHEG-UHFFFAOYSA-N,
4-Isoxazoleacetic acid, 3-methyl-,
ZINC82410125,
AKOS022718361,
FT-0755110,
Z2510259339,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.126g/mol |
| Monoisotopic Mass | 141.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number