| CAS Number | 22628-91-7 |
| Catalog Number | AG01DW8W(AGN-PC-00KLUS) |
| Chemical Name | 3-(but-3-en-1-yl)cyclopentan-1-one |
| IUPAC Name | 3-but-3-enylcyclopentan-1-one |
| InChI | InChI=1S/C9H14O/c1-2-3-4-8-5-6-9(10)7-8/h2,8H,1,3-7H2 |
| InChI Key | SOVGSPFMASGWMT-UHFFFAOYSA-N |
| MDL Number | MFCD09869068 |
| Molecular Formula | C9H14O |
| Molecular Weight | 138.2069 |
| SMILES | C=CCCC1CC(=O)CC1 |
| Synonyms | 3-(3-Butenyl)cyclopentanone,
22628-91-7,
AKOS013846804,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.21g/mol |
| Monoisotopic Mass | 138.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number