| CAS Number | 53342-39-5 |
| Catalog Number | AG00DF3I(AGN-PC-0JOWGR) |
| Chemical Name | Cyclobutyl 4-methylphenyl ketone |
| IUPAC Name | cyclobutyl-(4-methylphenyl)methanone |
| InChI | InChI=1S/C12H14O/c1-9-5-7-11(8-6-9)12(13)10-3-2-4-10/h5-8,10H,2-4H2,1H3 |
| InChI Key | WLMXFDVNBWUEOP-UHFFFAOYSA-N |
| MDL Number | MFCD03841247 |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.2390 |
| NSC Number | 245209 |
| SMILES | CC1=CC=C(C(C2CCC2)=O)C=C1 |
| Synonyms | CYCLOBUTYL 4-METHYLPHENYL KETONE,
53342-39-5,
cyclobutyl(4-methylphenyl)methanone,
NSC245209,
AC1L7UPW,
Cyclobutyl p-tolyl ketone,
SCHEMBL8119800,
CTK4J7668,
DTXSID60311780,
WLMXFDVNBWUEOP-UHFFFAOYSA-N,
ZINC1765924,
cyclobutyl-(4-methylphenyl)methanone,
5075AE,
MFCD03841247,
AKOS009346834,
NE21052,
NSC-245209,
C12H14O,
CID316820,
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| Complexity | 185 |
| 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 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number