| CAS Number | 58953-14-3 |
| Catalog Number | AG01B6SR(AGN-PC-0OCTIU) |
| Chemical Name | (1E)-1-chloro-4-methylpent-1-en-3-one |
| IUPAC Name | 1-chloro-4-methylpent-1-en-3-one |
| InChI | InChI=1S/C6H9ClO/c1-5(2)6(8)3-4-7/h3-5H,1-2H3 |
| InChI Key | YCDOHSUMKPOXSR-UHFFFAOYSA-N |
| MDL Number | MFCD01709077 |
| Molecular Formula | C6H9ClO |
| Molecular Weight | 132.5881 |
| SMILES | CC(C(/C=C/Cl)=O)C |
| Synonyms | (1E)-1-chloro-4-methylpent-1-en-3-one, E,
58953-14-3,
1-chloro-i-hexen-3-one,
YCDOHSUMKPOXSR-UHFFFAOYSA-N,
1-chloro-4-methyl-1-penten-3-one,
1-chloro-4-methyl-pent-1-en-3-one,
15787-73-2,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.587g/mol |
| Monoisotopic Mass | 132.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number