| CAS Number | 1355248-18-8 |
| Catalog Number | AG009WZ7(AGN-PC-0WA7CO) |
| Chemical Name | 3-(4-Benzyloxyphenyl)phenylacetic acid |
| IUPAC Name | 2-[3-(4-phenylmethoxyphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C21H18O3/c22-21(23)14-17-7-4-8-19(13-17)18-9-11-20(12-10-18)24-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,22,23) |
| InChI Key | SGUBMDDENSLKJX-UHFFFAOYSA-N |
| MDL Number | MFCD21332998 |
| Molecular Formula | C21H18O3 |
| Molecular Weight | 318.3658 |
| SMILES | OC(=O)Cc1cccc(c1)c1ccc(cc1)OCc1ccccc1 |
| Synonyms | 3-(4-Benzyloxyphenyl)phenylacetic acid,
1355248-18-8,
ACMC-209c3e,
CTK8B0439,
DTXSID40742816,
ANW-19944,
MFCD21332998,
ZINC85476953,
TC-108689,
K-4314,
[4'-(Benzyloxy)[1,1'-biphenyl]-3-yl]acetic acid,
3-(4-Benzyloxyphenyl)phenylaceticacid,
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| Complexity | 381 |
| 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 | 6 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number