| CAS Number | 88877-88-7 |
| Catalog Number | AG019OO8(AGN-PC-0LWTE4) |
| Chemical Name | 2-[5-(4-Methylphenyl)-1,3-oxazol-2-yl]benzoic acid |
| IUPAC Name | 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic acid |
| InChI | InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)15-10-18-16(21-15)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20) |
| InChI Key | QHDXXCCWUXBCLN-UHFFFAOYSA-N |
| MDL Number | MFCD00491494 |
| Molecular Formula | C17H13NO3 |
| Molecular Weight | 279.2900 |
| SMILES | CC1=CC=C(C2OC(C3=C(C(O)=O)C=CC=C3)=NC=2)C=C1 |
| Synonyms | 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoic Acid,
MLS001176205,
88877-88-7,
SMR000592513,
AC1OFKG9,
AC1Q2K1J,
CHEMBL1548989,
BDBM96127,
cid_7131003,
CTK6B8092,
HMS2902N20,
ZINC49557473,
AKOS001138634,
MCULE-6381402497,
NE11546,
2-[5-(p-tolyl)oxazol-2-yl]benzoic acid,
EN300-14677,
2-[5-(4-methylphenyl)-2-oxazolyl]benzoic acid,
Z57138762,
CID7131003,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.295g/mol |
| Monoisotopic Mass | 279.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number