| CAS Number | 893640-40-9 |
| Catalog Number | AG0086F3(AGN-PC-0WA9UM) |
| Chemical Name | 4-[3-(Benzyloxy)phenyl]phenylacetic acid |
| IUPAC Name | 2-[4-(3-phenylmethoxyphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C21H18O3/c22-21(23)13-16-9-11-18(12-10-16)19-7-4-8-20(14-19)24-15-17-5-2-1-3-6-17/h1-12,14H,13,15H2,(H,22,23) |
| InChI Key | ZIJOHPIBEPFHFA-UHFFFAOYSA-N |
| MDL Number | MFCD08701623 |
| Molecular Formula | C21H18O3 |
| Molecular Weight | 318.3658 |
| SMILES | OC(=O)Cc1ccc(cc1)c1cccc(c1)OCc1ccccc1 |
| Synonyms | 4-[3-(Benzyloxy)phenyl]phenylacetic acid,
893640-40-9,
2-(3'-(Benzyloxy)-[1,1'-biphenyl]-4-yl)acetic acid,
ACMC-209qzs,
CTK8B2602,
DTXSID20629611,
ANW-39254,
MFCD08701623,
ZINC26544420,
AKOS004117337,
AJ-82584,
TC-127999,
[3'-(Benzyloxy)[1,1'-biphenyl]-4-yl]acetic acid,
I04-2188,
AKOS BAR-2322,
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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