| CAS Number | 56594-99-1 |
| Catalog Number | AG01B9MC |
| Chemical Name | 1-cyclopropyl-2-(2-methylphenyl)ethan-1-one |
| IUPAC Name | 1-cyclopropyl-2-(2-methylphenyl)ethanone |
| InChI | InChI=1S/C12H14O/c1-9-4-2-3-5-11(9)8-12(13)10-6-7-10/h2-5,10H,6-8H2,1H3 |
| InChI Key | PQVHJDYPNSLCEQ-UHFFFAOYSA-N |
| MDL Number | MFCD11934673 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | CC1=C(CC(C2CC2)=O)C=CC=C1 |
| Synonyms | 1-cyclopropyl-2-(2-methylphenyl)ethan-1-one,
56594-99-1,
1-cyclopropyl-2-(2-methylphenyl)ethanone,
2-Methylphenylacetylcyclopropane,
ZINC32006750,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.243g/mol |
| Monoisotopic Mass | 174.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number