| CAS Number | 75852-28-7 |
| Catalog Number | AG00ICOA(AGN-PC-0N9YHB) |
| Chemical Name | Biphenyl-3-ylacetic acid methyl ester |
| IUPAC Name | methyl 2-(3-phenylphenyl)acetate |
| InChI | InChI=1S/C15H14O2/c1-17-15(16)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChI Key | VKBCJIJGDJYNIP-UHFFFAOYSA-N |
| MDL Number | MFCD22666014 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | C1(=CC=CC(CC(OC)=O)=C1)C1C=CC=CC=1 |
| Synonyms | 75852-28-7,
Biphenyl-3-ylacetic acid methyl ester,
Methyl 2-([1,1'-biphenyl]-3-yl)acetate,
SCHEMBL1929079,
VKBCJIJGDJYNIP-UHFFFAOYSA-N,
ZINC34432022,
biphenyl-3-yl acetic acid methyl ester,
biphenyl-3-yl-acetic acid methyl ester,
2-biphenyl-3yl-acetic acid methyl ester,
[1,1'-Biphenyl]-3-acetic acid, methyl ester,
Methyl 2-(3-phenylphenyl)acetate,
CID10751722,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.275g/mol |
| Monoisotopic Mass | 226.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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