| CAS Number | 4477-64-9 |
| Catalog Number | AG00VT8O(AGN-PC-015Q1Y) |
| Chemical Name | 4-Methoxy-3-phenylbenzoic acid |
| IUPAC Name | 4-methoxy-3-phenylbenzoic acid |
| InChI | InChI=1S/C14H12O3/c1-17-13-8-7-11(14(15)16)9-12(13)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16) |
| InChI Key | COWRCHINGJTIKJ-UHFFFAOYSA-N |
| MDL Number | MFCD09042442 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | COC1=C(C2=CC=CC=C2)C=C(C(O)=O)C=C1 |
| Synonyms | 4-methoxy-3-phenylbenzoic acid,
4477-64-9,
SCHEMBL402416,
AC1Q44T2,
CTK7A5929,
COWRCHINGJTIKJ-UHFFFAOYSA-N,
2-Methoxybiphenyl-5-carboxylic acid,
ZINC20397743,
AKOS000124398,
MCULE-6000164813,
NE39355,
6-(Methyloxy)-3-biphenylcarboxylic acid,
2-Methoxy-1,1'-biphenyl-5-carboxylic acid,
EN300-60851,
6-methoxy-[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 6-methoxy-,
Z1259155873,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number