| CAS Number | 893736-29-3 |
| Catalog Number | AG00IFO9(AGN-PC-0WRABP) |
| Chemical Name | 3-(3-Benzyloxyphenyl)benzoic acid |
| IUPAC Name | 3-(3-phenylmethoxyphenyl)benzoic acid |
| InChI | InChI=1S/C20H16O3/c21-20(22)18-10-4-8-16(12-18)17-9-5-11-19(13-17)23-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,22) |
| InChI Key | JXSNFJQKKLOTRI-UHFFFAOYSA-N |
| MDL Number | MFCD06802257 |
| Molecular Formula | C20H16O3 |
| Molecular Weight | 304.3392 |
| SMILES | C(O)(=O)C1=CC=CC(C2=CC=CC(=C2)OCC2=CC=CC=C2)=C1 |
| Synonyms | 893736-29-3,
3-(3-Benzyloxyphenyl)benzoic acid,
3'-(Benzyloxy)[1,1'-biphenyl]-3-carboxylic acid,
3'-(Benzyloxy)-[1,1'-biphenyl]-3-carboxylic acid,
DTXSID80563623,
MFCD06802257,
ZINC16946859,
AKOS004116308,
BB 0223308,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.345g/mol |
| Monoisotopic Mass | 304.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number