| CAS Number | 10264-56-9 |
| Catalog Number | AG00900V(AGN-PC-0NBPJ0) |
| Chemical Name | 3-(Propan-2-yl)cyclopentan-1-one |
| IUPAC Name | 3-propan-2-ylcyclopentan-1-one |
| InChI | InChI=1S/C8H14O/c1-6(2)7-3-4-8(9)5-7/h6-7H,3-5H2,1-2H3 |
| InChI Key | PYAUPTMCTBUIGA-UHFFFAOYSA-N |
| MDL Number | MFCD17014644 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC(C)C1CCC(=O)C1 |
| Synonyms | 3-isopropylcyclopentanone,
3-(propan-2-yl)cyclopentan-1-one,
10264-56-9,
ACMC-20lxmn,
Cyclopentanone, 3-(1-methylethyl)-, (R)-,
SCHEMBL1823080,
PYAUPTMCTBUIGA-UHFFFAOYSA-N,
93451-74-2,
AKOS013846583,
NE45531,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number