| CAS Number | 90482-23-8 |
| Catalog Number | AG01A82V(AGN-PC-0WOCKG) |
| Chemical Name | 1-Cyclopropylpentane-1,3-dione |
| IUPAC Name | 1-cyclopropylpentane-1,3-dione |
| InChI | InChI=1S/C8H12O2/c1-2-7(9)5-8(10)6-3-4-6/h6H,2-5H2,1H3 |
| InChI Key | OWEWZFCREOKWIV-UHFFFAOYSA-N |
| MDL Number | MFCD11188870 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| SMILES | CCC(CC(C1CC1)=O)=O |
| Synonyms | 1-cyclopropylpentane-1,3-dione,
90482-23-8,
1-cyclopropyl-pentane-1,3-dione,
AC1Q2ROP,
SCHEMBL509550,
1-Cyclopropyl-1,3-pentanedione,
CTK6C6586,
OWEWZFCREOKWIV-UHFFFAOYSA-N,
ZINC20429380,
AKOS008118521,
MCULE-1546743904,
NE23011,
EN300-60576,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.182g/mol |
| Monoisotopic Mass | 140.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number