| CAS Number | 3919-88-8 |
| Catalog Number | AG00VT0H(AGN-PC-042YD4) |
| Chemical Name | 2-(5-Phenylisoxazol-3-yl)acetic acid |
| IUPAC Name | 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid |
| InChI | InChI=1S/C11H9NO3/c13-11(14)7-9-6-10(15-12-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14) |
| InChI Key | FMDCMDNXXSWGCB-UHFFFAOYSA-N |
| MDL Number | MFCD10036141 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | OC(CC1=NOC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 3919-88-8,
2-(5-phenyl-1,2-oxazol-3-yl)acetic acid,
(5-phenylisoxazol-3-yl)acetic acid,
2-(5-phenylisoxazol-3-yl)acetic acid,
3-Isoxazoleacetic acid, 5-phenyl-,
SCHEMBL5283705,
5-Phenylisoxazole-3-acetic acid,
ZINC20270411,
AKOS015948283,
MCULE-1416965939,
(5-phenyl-1,2-oxazol-3-yl)acetic acid,
EN300-74802,
L-4086,
F2161-0027,
Z1259335818,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number