| CAS Number | 133602-40-1 |
| Catalog Number | AG019N5T |
| Chemical Name | 4-(5-Phenyl-1,3-oxazol-2-yl)butanoic acid |
| IUPAC Name | 4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid |
| InChI | InChI=1S/C13H13NO3/c15-13(16)8-4-7-12-14-9-11(17-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16) |
| InChI Key | LGYLNERWPKVLBR-UHFFFAOYSA-N |
| MDL Number | MFCD11505448 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | OC(CCCC1OC(C2=CC=CC=C2)=CN=1)=O |
| Synonyms | 4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid,
133602-40-1,
2-Oxazolebutanoic acid, 5-phenyl-,
AC1Q75E9,
SCHEMBL10247700,
CTK7J3345,
ZINC32627609,
AKOS024100671,
MCULE-5184609470,
NE30064,
EN300-39465,
Z398513502,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number