| CAS Number | 16605-99-5 |
| Catalog Number | AG00ADUC(AGN-PC-0MVPBN) |
| Chemical Name | Methyl biphenyl-2-carboxylate |
| IUPAC Name | methyl 2-phenylbenzoate |
| InChI | InChI=1S/C14H12O2/c1-16-14(15)13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3 |
| InChI Key | WNAFVJVEADYQAI-UHFFFAOYSA-N |
| MDL Number | MFCD00452250 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.2439 |
| SMILES | O=C(C1=CC=CC=C1C2=CC=CC=C2)OC |
| Synonyms | METHYL BIPHENYL-2-CARBOXYLATE,
Methyl 2-phenylbenzoate,
16605-99-5,
Biphenyl-2-carboxylic acid methyl ester,
CHEMBL103831,
SCHEMBL1775832,
CTK0I5028,
WNAFVJVEADYQAI-UHFFFAOYSA-N,
5322AD,
BDBM50090974,
MFCD00452250,
ZINC13809591,
AKOS005216884,
CS-0061851,
[1,1'-Biphenyl]carboxylic acid, methyl ester,
28804-92-4,
C14H12O2,
CID9920766,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.248g/mol |
| Monoisotopic Mass | 212.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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