| CAS Number | 3972-67-6 |
| Catalog Number | AG0077UC(AGN-PC-0NK5JQ) |
| Chemical Name | 1-(1-Phenylcyclobutyl)ethanone |
| IUPAC Name | 1-(1-phenylcyclobutyl)ethanone |
| InChI | InChI=1S/C12H14O/c1-10(13)12(8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3 |
| InChI Key | BOTZEZSQGAVDGN-UHFFFAOYSA-N |
| MDL Number | MFCD09903622 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| SMILES | CC(C1(C2=CC=CC=C2)CCC1)=O |
| Synonyms | 1-(1-phenylcyclobutyl)ethanone,
3972-67-6,
1-(1-phenylcyclobutyl)ethan-1-one,
SCHEMBL12928712,
CTK8D4018,
DTXSID40509087,
BOTZEZSQGAVDGN-UHFFFAOYSA-N,
ZINC11833064,
AKOS012379091,
AJ-60220,
TC-071647,
A824711,
A1-07428,
S01-0687,
1-Phenylcyclobutylmethylketon,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.243g/mol |
| Monoisotopic Mass | 174.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number