| CAS Number | 116668-80-5 |
| Catalog Number | AG008SVG(AGN-PC-0WAY5I) |
| Chemical Name | Methyl 3'-methyl[1,1'-biphenyl]-2-carboxylate |
| IUPAC Name | methyl 2-(3-methylphenyl)benzoate |
| InChI | InChI=1S/C15H14O2/c1-11-6-5-7-12(10-11)13-8-3-4-9-14(13)15(16)17-2/h3-10H,1-2H3 |
| InChI Key | YMUQYFXJUZSCOQ-UHFFFAOYSA-N |
| MDL Number | MFCD05979876 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | C1(=CC=CC=C1C1C=CC=C(C)C=1)C(OC)=O |
| Synonyms | 116668-80-5,
Methyl 3'-methyl-[1,1'-biphenyl]-2-carboxylate,
Methyl 3'-methyl[1,1'-biphenyl]-2-carboxylate,
Methyl 2-(3-methylphenyl)benzoate,
AC1LRCNG,
AMTDA185,
KS-000022OT,
ZINC1257632,
MFCD05979876,
AKOS004114763,
AS-3159,
OR311173,
BB 0223439,
Methyl 3''-methyl-[1,1''-biphenyl]-2-carboxylate',
C15H14O2,
CID1392926,
'Methyl 3''-methyl-[1,1''-biphenyl]-2-carboxylate',
|
| Complexity | 262 |
| 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 | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number