| CAS Number | 100121-80-0 |
| Catalog Number | AG00010Y(AGN-PC-00O3H1) |
| Chemical Name | Cyclobutyl 4-methoxyphenyl ketone |
| IUPAC Name | cyclobutyl-(4-methoxyphenyl)methanone |
| InChI | InChI=1S/C12H14O2/c1-14-11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9H,2-4H2,1H3 |
| InChI Key | ZFYOOJLCJQTVHL-UHFFFAOYSA-N |
| MDL Number | MFCD03841250 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | COC1=CC=C(C(C2CCC2)=O)C=C1 |
| Synonyms | CYCLOBUTYL 4-METHOXYPHENYL KETONE,
100121-80-0,
Cyclobutyl(4-methoxyphenyl)methanone,
Methanone, cyclobutyl(4-methoxyphenyl)-,
SCHEMBL3367257,
CTK3J8563,
DTXSID20550315,
ZFYOOJLCJQTVHL-UHFFFAOYSA-N,
ZINC2514305,
7095AC,
MFCD03841250,
AKOS009347498,
Cyclobutyl-(4-methoxy-phenyl)-methanone,
C12H14O2,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number