| CAS Number | 893736-49-7 |
| Catalog Number | AG003YUR(AGN-PC-02MGBN) |
| Chemical Name | Methyl 2-[4-(benzyloxy)phenyl]benzoate |
| IUPAC Name | methyl 2-(4-phenylmethoxyphenyl)benzoate |
| InChI | InChI=1S/C21H18O3/c1-23-21(22)20-10-6-5-9-19(20)17-11-13-18(14-12-17)24-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3 |
| InChI Key | NRZAIIOLJCQPEX-UHFFFAOYSA-N |
| MDL Number | MFCD06802265 |
| Molecular Formula | C21H18O3 |
| Molecular Weight | 318.3658 |
| SMILES | C1(C=CC=CC=1C1C=CC(=CC=1)OCC1=CC=CC=C1)C(OC)=O |
| Synonyms | 893736-49-7,
Methyl 4'-(benzyloxy)-[1,1'-biphenyl]-2-carboxylate,
Methyl 2-[4-(benzyloxy)phenyl]benzoate,
Methyl 4'-(benzyloxy)[1,1'-biphenyl]-2-carboxylate,
ACMC-209r0a,
CTK8B2616,
DTXSID80602445,
4774AC,
ANW-39272,
MFCD06802265,
ZINC16946881,
AKOS004116452,
AJ-69708,
AX8243326,
TC-128017,
BB 0223316,
B-8526,
C21H18O3,
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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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.372g/mol |
| Monoisotopic Mass | 318.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number