| CAS Number | 1017329-96-2 |
| Catalog Number | AG01E7QT |
| Chemical Name | 3-Cyclopropyl-3-phenylpropanoic acid |
| IUPAC Name | 3-cyclopropyl-3-phenylpropanoic acid |
| InChI | InChI=1S/C12H14O2/c13-12(14)8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14) |
| InChI Key | LYEFZEPKODJVHX-UHFFFAOYSA-N |
| MDL Number | MFCD09889681 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | C1(CC1)C(CC(=O)O)C1=CC=CC=C1 |
| Synonyms | 3-cyclopropyl-3-phenylpropanoic acid,
AKOS006313633,
MCULE-7274097526,
AS-871/43476852,
1017329-96-2,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number