| CAS Number | 153849-57-1 |
| Catalog Number | AG01A2TM |
| Chemical Name | 4-[Methyl(phenyl)carbamoyl]benzoic acid |
| IUPAC Name | 4-[methyl(phenyl)carbamoyl]benzoic acid |
| InChI | InChI=1S/C15H13NO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h2-10H,1H3,(H,18,19) |
| InChI Key | KKMHMKLGAUXUIC-UHFFFAOYSA-N |
| MDL Number | MFCD12466761 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | CN(C1=CC=CC=C1)C(C1=CC=C(C(O)=O)C=C1)=O |
| Synonyms | 4-[methyl(phenyl)carbamoyl]benzoic acid,
153849-57-1,
SCHEMBL9567794,
ZINC35347408,
AKOS005879054,
MCULE-3232361911,
NE43434,
Z927704788,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number