| CAS Number | 1215206-42-0 |
| Catalog Number | AG00156N(AGN-PC-0WA6N1) |
| Chemical Name | 2'-Ethylbiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(2-ethylphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O2/c1-2-11-6-3-4-9-14(11)12-7-5-8-13(10-12)15(16)17/h3-10H,2H2,1H3,(H,16,17) |
| InChI Key | LIOMBQKACCJAHQ-UHFFFAOYSA-N |
| MDL Number | MFCD15143488 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.2705 |
| SMILES | CCc1ccccc1c1cccc(c1)C(=O)O |
| Synonyms | 2'-ETHYLBIPHENYL-3-CARBOXYLIC ACID,
1215206-42-0,
3-(2-ethylphenyl)benzoic acid,
CTK4B2477,
DTXSID40681771,
2'-ethyl biphenyl-3-carboxylic acid,
MFCD15143488,
ZINC65336917,
AKOS015838600,
TR-034599,
2'-Ethyl[1,1'-biphenyl]-3-carboxylic acid,
K-1612,
[1,1'-Biphenyl]-3-carboxylic acid, 2'-ethyl-,
2-Ethylbiphenyl-3-carboxylic acid,
2/'-Ethylbiphenyl-3-carboxylic acid,
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| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.275g/mol |
| Monoisotopic Mass | 226.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number