| CAS Number | 13027-76-4 |
| Catalog Number | AG000U7L(AGN-PC-0NJCQ3) |
| Chemical Name | 1-cyclobutylpropan-2-one |
| IUPAC Name | 1-cyclobutylpropan-2-one |
| InChI | InChI=1S/C7H12O/c1-6(8)5-7-3-2-4-7/h7H,2-5H2,1H3 |
| InChI Key | DSZACMSTKNWDET-UHFFFAOYSA-N |
| MDL Number | MFCD21240488 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | CC(CC1CCC1)=O |
| Synonyms | 1-cyclobutylpropan-2-one,
13027-76-4,
3-cyclobutyl-2-propanone,
2-Propanone, 1-cyclobutyl-,
Cyclobutylaceton,
SCHEMBL1396131,
CTK0C1308,
DTXSID10502000,
DSZACMSTKNWDET-UHFFFAOYSA-N,
ZINC39244995,
AKOS014797476,
MCULE-8119711389,
NE54813,
RP19067,
Z1413780570,
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| 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 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number