| CAS Number | 1214369-81-9 |
| Catalog Number | AG0014XO(AGN-PC-0WABIH) |
| Chemical Name | 5-Methoxy-3-phenylbenzoic acid |
| IUPAC Name | 3-methoxy-5-phenylbenzoic acid |
| InChI | InChI=1S/C14H12O3/c1-17-13-8-11(7-12(9-13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16) |
| InChI Key | RJNXRRZKLNCRKQ-UHFFFAOYSA-N |
| MDL Number | MFCD14702065 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | COc1cc(cc(c1)C(=O)O)c1ccccc1 |
| Synonyms | 5-METHOXY-3-PHENYLBENZOIC ACID,
1214369-81-9,
ACMC-209aau,
SCHEMBL14150399,
CTK8A9465,
DTXSID40673499,
RJNXRRZKLNCRKQ-UHFFFAOYSA-N,
3-Methoxybiphenyl-5-carboxylic acid,
ANW-17620,
MFCD14702065,
ZINC47211920,
5-methoxy-biphenyl-3-carboxylic acid,
TC-106365,
5-Methoxy[1,1'-biphenyl]-3-carboxylic acid,
B-6656,
[1,1'-Biphenyl]-3-carboxylic acid, 5-methoxy-,
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| 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
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Certificate of Analysis
Lot Number