| CAS Number | 5689-18-9 |
| Catalog Number | AG00VTBP(AGN-PC-0SMK3Q) |
| Chemical Name | 2-Cyclopropyl-2-phenylacetic acid |
| IUPAC Name | 2-cyclopropyl-2-phenylacetic acid |
| InChI | InChI=1S/C11H12O2/c12-11(13)10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13) |
| InChI Key | PYBNWSBTADSMIW-UHFFFAOYSA-N |
| MDL Number | MFCD10568714 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | C1(CC1)C(C(=O)O)C1=CC=CC=C1 |
| Synonyms | 2-cyclopropyl-2-phenylacetic acid,
5689-18-9,
Benzeneacetic acid, alpha-cyclopropyl-,
SCHEMBL66920,
cyclopropyl(phenyl)acetic acid,
PYBNWSBTADSMIW-UHFFFAOYSA-N,
AKOS006303850,
MCULE-9535074087,
NE30930,
AE-646/11814032,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number