| CAS Number | 57612-87-0 |
| Catalog Number | AG00IA9F(AGN-PC-0NIC7P) |
| Chemical Name | 2-(5-Methyl-1,2-oxazol-3-yl)acetic acid |
| IUPAC Name | 2-(5-methyl-1,2-oxazol-3-yl)acetic acid |
| InChI | InChI=1S/C6H7NO3/c1-4-2-5(7-10-4)3-6(8)9/h2H,3H2,1H3,(H,8,9) |
| InChI Key | UNFVEYMEZRVVOB-UHFFFAOYSA-N |
| MDL Number | MFCD10036163 |
| Molecular Formula | C6H7NO3 |
| Molecular Weight | 141.1247 |
| SMILES | CC1=CC(=NO1)CC(=O)O |
| Synonyms | 2-(5-methyl-1,2-oxazol-3-yl)acetic acid,
57612-87-0,
3-Isoxazoleacetic acid, 5-methyl-,
2-(5-Methylisoxazol-3-yl)acetic acid,
5-methyl-3-isoxazoleacetic acid,
SCHEMBL724170,
5-Methylisoxazole-3-acetic Acid,
UNFVEYMEZRVVOB-UHFFFAOYSA-N,
MFCD10036163,
ZINC20270433,
AKOS006229695,
(5-methyl-isoxazol-3-yl)-acetic acid,
MCULE-1349935417,
NE14755,
AJ-76773,
BS-13332,
EN300-77356,
F8889-0384,
Z1259339939,
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| 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 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number