| CAS Number | 57830-13-4 |
| Catalog Number | AG00IAAM(AGN-PC-0WCYQ3) |
| Chemical Name | 2-Methyl-4-phenoxybenzoic acid |
| IUPAC Name | 2-methyl-4-phenoxybenzoic acid |
| InChI | InChI=1S/C14H12O3/c1-10-9-12(7-8-13(10)14(15)16)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16) |
| InChI Key | CINTXXPQWRCNAU-UHFFFAOYSA-N |
| MDL Number | MFCD14534894 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | O=C(O)C1=CC=C(OC2=CC=CC=C2)C=C1C |
| Synonyms | 2-methyl-4-phenoxybenzoic acid,
57830-13-4,
SCHEMBL10397079,
CINTXXPQWRCNAU-UHFFFAOYSA-N,
MFCD14534894,
ZINC36192645,
AKOS011415884,
|
| Complexity | 258 |
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number