| CAS Number | 7063-68-5 |
| Catalog Number | AG005TH4(AGN-PC-0NIQOX) |
| Chemical Name | Cyclopentyl(2-methoxyphenyl)methanone |
| IUPAC Name | cyclopentyl-(2-methoxyphenyl)methanone |
| InChI | InChI=1S/C13H16O2/c1-15-12-9-5-4-8-11(12)13(14)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3 |
| InChI Key | AZPZSUSFTBSXLY-UHFFFAOYSA-N |
| MDL Number | MFCD03841294 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | COC1=C(C(C2CCCC2)=O)C=CC=C1 |
| Synonyms | cyclopentyl(2-methoxyphenyl)methanone,
7063-68-5,
CYCLOPENTYL 2-METHOXYPHENYL KETONE,
Methanone,cyclopentyl(2-methoxyphenyl)-,
AC1Q44YP,
SCHEMBL11877651,
CTK5D2693,
DTXSID10493989,
ZINC2514349,
2-methoxyphenyl cyclopentyl methanone,
MFCD03841294,
AKOS010015919,
MCULE-7706754142,
NE21668,
EN300-73593,
Z1250132504,
CYCLOPENTYL2-METHOXYPHENYLKETONE,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.269g/mol |
| Monoisotopic Mass | 204.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number