| CAS Number | 74519-74-7 |
| Catalog Number | AG01FNFT(AGN-PC-3H4BF3) |
| Chemical Name | 2-Cyclopropyl-2-(p-tolyl)acetic acid |
| IUPAC Name | 2-cyclopropyl-2-(4-methylphenyl)acetic acid |
| InChI | InChI=1S/C12H14O2/c1-8-2-4-9(5-3-8)11(12(13)14)10-6-7-10/h2-5,10-11H,6-7H2,1H3,(H,13,14) |
| InChI Key | WBFXOVCUTNVXQE-UHFFFAOYSA-N |
| MDL Number | MFCD11590454 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | OC(=O)C(c1ccc(cc1)C)C1CC1 |
| Synonyms | 2-Cyclopropyl-2-(p-tolyl)acetic acid,
74519-74-7,
SCHEMBL11157600,
AKOS006317893,
2-cyclopropyl-2-(4-methylphenyl)acetic acid,
|
| Complexity | 212 |
| 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 | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number