| CAS Number | 893736-38-4 |
| Catalog Number | AG00IFOB(AGN-PC-0WA770) |
| Chemical Name | 3-(2-Benzyloxyphenyl)benzoic acid |
| IUPAC Name | 3-(2-phenylmethoxyphenyl)benzoic acid |
| InChI | InChI=1S/C20H16O3/c21-20(22)17-10-6-9-16(13-17)18-11-4-5-12-19(18)23-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,22) |
| InChI Key | ZVMSJATUQLEIKA-UHFFFAOYSA-N |
| MDL Number | MFCD06802260 |
| Molecular Formula | C20H16O3 |
| Molecular Weight | 304.3392 |
| SMILES | C1(C=CC=C(C=1)C(O)=O)C1=CC=CC=C1OCC1=CC=CC=C1 |
| Synonyms | 3-(2-Benzyloxyphenyl)benzoic acid,
893736-38-4,
2'-(Benzyloxy)[1,1'-biphenyl]-3-carboxylic acid,
DTXSID20602444,
MFCD06802260,
ZINC16946867,
AKOS004116343,
BB 0223311,
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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