| CAS Number | 19418-95-2 |
| Catalog Number | AG01B1AB(AGN-PC-01MIAQ) |
| Chemical Name | 2-(2-Ethylphenyl)acetic acid |
| IUPAC Name | 2-(2-ethylphenyl)acetic acid |
| InChI | InChI=1S/C10H12O2/c1-2-8-5-3-4-6-9(8)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChI Key | IDWCPOOBGCOZAY-UHFFFAOYSA-N |
| MDL Number | MFCD09924863 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | CCC1=C(CC(O)=O)C=CC=C1 |
| Synonyms | 2-(2-ethylphenyl)acetic acid,
19418-95-2,
Benzeneacetic acid, 2-ethyl-,
ethyl benzeneacetic acid,
ethylbenzene-acetic acid,
2-ethylphenylacetic acid,
2-Ethylbenzeneacetic acid,
SCHEMBL509855,
IDWCPOOBGCOZAY-UHFFFAOYSA-N,
ZINC44373850,
AKOS006312840,
NE26198,
Z1924086872,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number