| CAS Number | 1013405-79-2 |
| Catalog Number | AG00049P(AGN-PC-0WA7X2) |
| Chemical Name | [1,1'-Biphenyl]-3-acetic acid, 3'-(phenylmethoxy)- |
| IUPAC Name | 2-[3-(3-phenylmethoxyphenyl)phenyl]acetic acid |
| InChI | InChI=1S/C21H18O3/c22-21(23)13-17-8-4-9-18(12-17)19-10-5-11-20(14-19)24-15-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,22,23) |
| InChI Key | JQQXZQKQAYXIHW-UHFFFAOYSA-N |
| MDL Number | MFCD20231507 |
| Molecular Formula | C21H18O3 |
| Molecular Weight | 318.3658 |
| SMILES | C(C1=CC=CC=C1)OC=1C=C(C=CC1)C1=CC(=CC=C1)CC(=O)O |
| Synonyms | 3-[3-(Benzyloxy)phenyl]phenylacetic acid,
1013405-79-2,
2-(3'-(Benzyloxy)-[1,1'-biphenyl]-3-yl)acetic acid,
ACMC-2097ux,
SCHEMBL3908596,
CTK8A8993,
DTXSID20716590,
ANW-14455,
MFCD20231507,
ZINC74938311,
AKOS015893104,
AJ-121561,
TC-103200,
B-6249,
[3'-(Benzyloxy)[1,1'-biphenyl]-3-yl]acetic acid,
I04-2189,
[1,1'-Biphenyl]-3-acetic acid, 3'-(phenylmethoxy)-,
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| Complexity | 389 |
| 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 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number