| CAS Number | 1178070-12-6 |
| Catalog Number | AG00947C(AGN-PC-0WNMU1) |
| Chemical Name | 3-(4-Methoxy-2-methylphenyl)benzoic acid |
| IUPAC Name | 3-(4-methoxy-2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O3/c1-10-8-13(18-2)6-7-14(10)11-4-3-5-12(9-11)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | YMUIGLXBLDWLPT-UHFFFAOYSA-N |
| MDL Number | MFCD11920068 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | COc1ccc(c(c1)C)c1cccc(c1)C(=O)O |
| Synonyms | 3-(4-METHOXY-2-METHYLPHENYL)BENZOIC ACID,
1178070-12-6,
DTXSID50653762,
MFCD11920068,
ZINC32100089,
AKOS005821282,
4'-Methoxy-2'-methyl[1,1'-biphenyl]-3-carboxylic acid,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number