| CAS Number | 118298-27-4 |
| Catalog Number | AG00HEGA(AGN-PC-0PBQWO) |
| Chemical Name | 3-(2-METHOXYPHENYL)CYCLOPENTANONE |
| IUPAC Name | 3-(2-methoxyphenyl)cyclopentan-1-one |
| InChI | InChI=1S/C12H14O2/c1-14-12-5-3-2-4-11(12)9-6-7-10(13)8-9/h2-5,9H,6-8H2,1H3 |
| InChI Key | MOUCCUJQVSNBQT-UHFFFAOYSA-N |
| MDL Number | MFCD11935186 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | COc1ccccc1C1CCC(=O)C1 |
| Synonyms | 3-(2-Methoxyphenyl)cyclopentanone,
118298-27-4,
3-(2-methoxyphenyl)cyclopentan-1-one,
SCHEMBL12635245,
AKOS013846597,
Cyclopentanone, 3-(2-methoxyphenyl)-,
|
| Complexity | 212 |
| 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 | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number