| CAS Number | 30923-65-0 |
| Catalog Number | AG01AAZT(AGN-PC-0WO4YU) |
| Chemical Name | 1-Cyclopropyl-3-phenylpropane-1,3-dione |
| IUPAC Name | 1-cyclopropyl-3-phenylpropane-1,3-dione |
| InChI | InChI=1S/C12H12O2/c13-11(8-12(14)10-6-7-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
| InChI Key | ZEPXXRGMHZRBKL-UHFFFAOYSA-N |
| MDL Number | MFCD11178649 |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.2225 |
| SMILES | O=C(CC(C1CC1)=O)C2=CC=CC=C2 |
| Synonyms | 1-cyclopropyl-3-phenylpropane-1,3-dione,
30923-65-0,
1-Cyclopropyl-3-phenyl-1,3-propanedione,
1-cyclopropyl-3-phenyl-propane-1,3-dione,
AC1Q5GTY,
SCHEMBL4251157,
ZEPXXRGMHZRBKL-UHFFFAOYSA-N,
AKOS009304851,
ZINC100621587,
MCULE-5856064027,
NE26464,
1-Phenyl-3-cyclopropyl-1,3-propanedione,
EN300-70047,
Z1250100633,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.226g/mol |
| Monoisotopic Mass | 188.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number