| CAS Number | 7063-66-3 |
| Catalog Number | AG005TH5(AGN-PC-0431LZ) |
| Chemical Name | Cyclopentyl 2-methylphenyl ketone |
| IUPAC Name | cyclopentyl-(2-methylphenyl)methanone |
| InChI | InChI=1S/C13H16O/c1-10-6-2-5-9-12(10)13(14)11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3 |
| InChI Key | ZJOOCSZEDQMGTQ-UHFFFAOYSA-N |
| MDL Number | MFCD03841291 |
| Molecular Formula | C13H16O |
| Molecular Weight | 188.2655 |
| SMILES | CC1=C(C(C2CCCC2)=O)C=CC=C1 |
| Synonyms | CYCLOPENTYL 2-METHYLPHENYL KETONE,
7063-66-3,
Cyclopentyl(2-methylphenyl)methanone,
CTK5D2691,
DTXSID50642555,
ZINC2514346,
8484AE,
MFCD03841291,
AKOS010014815,
Z2205998973,
2-Methylphenyl cyclopentyl ketone,
C13H16O,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.27g/mol |
| Monoisotopic Mass | 188.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number