| CAS Number | 6739-22-6 |
| Catalog Number | AG006HIL(AGN-PC-0NJ5S3) |
| Chemical Name | 2-CYCLOPROPYL-1-PHENYLETHAN-1-ONE |
| IUPAC Name | 2-cyclopropyl-1-phenylethanone |
| InChI | InChI=1S/C11H12O/c12-11(8-9-6-7-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2 |
| InChI Key | SKAMSFNTWGMHJW-UHFFFAOYSA-N |
| MDL Number | MFCD13181717 |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.2124 |
| SMILES | O=C(C1=CC=CC=C1)CC2CC2 |
| Synonyms | 2-CYCLOPROPYL-1-PHENYLETHAN-1-ONE,
6739-22-6,
Cyclopropylmethyl phenyl ketone,
Ethanone, 2-cyclopropyl-1-phenyl-,
2-CYCLOPROPYL-1-PHENYLETHANONE,
cyclopropyl acetophenone,
alpha-Cyclopropylacetophenone,
SCHEMBL2632406,
CTK1J3534,
DTXSID50500267,
MFCD13181717,
ZINC39236866,
AKOS010824075,
NE57091,
AM806333,
AS-39671,
DB-082848,
FT-0751261,
EN300-81503,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.216g/mol |
| Monoisotopic Mass | 160.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number