| CAS Number | 1261911-97-0 |
| Catalog Number | AG000S56(AGN-PC-0WA95L) |
| Chemical Name | 4-(3-Benzyloxyphenyl)-3-methylbenzoic acid |
| IUPAC Name | 3-methyl-4-(3-phenylmethoxyphenyl)benzoic acid |
| InChI | InChI=1S/C21H18O3/c1-15-12-18(21(22)23)10-11-20(15)17-8-5-9-19(13-17)24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23) |
| InChI Key | CDXHSPZQHUCFFR-UHFFFAOYSA-N |
| MDL Number | MFCD18322860 |
| Molecular Formula | C21H18O3 |
| Molecular Weight | 318.3658 |
| SMILES | OC(=O)c1ccc(c(c1)C)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 1261911-97-0,
4-(3-BENZYLOXYPHENYL)-3-METHYLBENZOIC ACID,
3'-(Benzyloxy)-2-methyl-[1,1'-biphenyl]-4-carboxylic acid,
ACMC-209b4g,
CTK8A9708,
DTXSID10692213,
ANW-18686,
MFCD18322860,
ZINC65355183,
AKOS022184983,
AJ-115528,
TC-107431,
B-6866,
3'-(Benzyloxy)-2-methyl[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-3'-(phenylmethoxy)-,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.372g/mol |
| Monoisotopic Mass | 318.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number