| CAS Number | 6704-17-2 |
| Catalog Number | AG01AMZH(AGN-PC-0TN1YI) |
| Chemical Name | 1-cyclobutylpropan-1-one |
| IUPAC Name | 1-cyclobutylpropan-1-one |
| InChI | InChI=1S/C7H12O/c1-2-7(8)6-4-3-5-6/h6H,2-5H2,1H3 |
| InChI Key | DOSUYAMSMLGMPU-UHFFFAOYSA-N |
| MDL Number | MFCD19300692 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | CCC(C1CCC1)=O |
| Synonyms | 1-cyclobutylpropan-1-one,
6704-17-2,
Ethylcyclobutyl ketone,
1-Cyclobutyl-1-propanone,
SCHEMBL256032,
DOSUYAMSMLGMPU-UHFFFAOYSA-N,
ZINC62715062,
AKOS014311904,
CS-0056243,
J-504542,
Z2235790918,
cyclobutyl ethyl ketone,
|
| Complexity | 92.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.172g/mol |
| Monoisotopic Mass | 112.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number