| CAS Number | 1000804-51-2 |
| Catalog Number | AG01A1B3 |
| Chemical Name | 2-(4-Cyanophenyl)-2-Methylpropanoic Acid |
| IUPAC Name | 2-(4-cyanophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C11H11NO2/c1-11(2,10(13)14)9-5-3-8(7-12)4-6-9/h3-6H,1-2H3,(H,13,14) |
| InChI Key | FZGGHYKAYNGJJB-UHFFFAOYSA-N |
| MDL Number | MFCD19695824 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | C(#N)C1=CC=C(C=C1)C(C(=O)O)(C)C |
| Synonyms | 2-(4-cyanophenyl)-2-methylpropanoic acid,
1000804-51-2,
SCHEMBL8224210,
AKOS024204393,
ZINC145688937,
J3.650.869H,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number