| CAS Number | 1184558-92-6 |
| Catalog Number | AG01DQSC(AGN-PC-0DT22X) |
| Chemical Name | 1-Cyclopropyl-2-(3,4-dimethoxyphenyl)ethan-1-one |
| IUPAC Name | 1-cyclopropyl-2-(3,4-dimethoxyphenyl)ethanone |
| InChI | InChI=1S/C13H16O3/c1-15-12-6-3-9(8-13(12)16-2)7-11(14)10-4-5-10/h3,6,8,10H,4-5,7H2,1-2H3 |
| InChI Key | JPLFOUVBPIWOAA-UHFFFAOYSA-N |
| MDL Number | MFCD12827391 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | COC1=C(OC)C=C(CC(C2CC2)=O)C=C1 |
| Synonyms | 1-cyclopropyl-2-(3,4-dimethoxyphenyl)ethanone,
1184558-92-6,
SCHEMBL16930347,
JPLFOUVBPIWOAA-UHFFFAOYSA-N,
ZINC38125674,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number