| CAS Number | 6338-04-1 |
| Catalog Number | AG00ELEU(AGN-PC-0JOCCM) |
| Chemical Name | 2-(m-Tolyloxy)benzoic acid |
| IUPAC Name | 2-(3-methylphenoxy)benzoic acid |
| InChI | InChI=1S/C14H12O3/c1-10-5-4-6-11(9-10)17-13-8-3-2-7-12(13)14(15)16/h2-9H,1H3,(H,15,16) |
| InChI Key | LLNYWMNWRYXWPC-UHFFFAOYSA-N |
| MDL Number | MFCD11107570 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| NSC Number | 37594 |
| SMILES | CC1=CC(OC2=C(C(O)=O)C=CC=C2)=CC=C1 |
| Synonyms | 2-(3-methylphenoxy)benzoic acid,
6338-04-1,
2-(m-tolyloxy)benzoic acid,
2-(3-Methylphenoxy)-benzoic acid,
NSC37594,
AC1L5V8K,
AC1Q5UU5,
SCHEMBL2867681,
CTK2F5682,
DTXSID80284543,
ZINC1670117,
NSC-37594,
AKOS000263967,
Z2582801242,
AR-1C7383,
CID235824,
10480-37-2,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.247g/mol |
| Monoisotopic Mass | 228.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number