| CAS Number | 53002-97-4 |
| Catalog Number | AG00I9GU(AGN-PC-0WOSH6) |
| Chemical Name | 3-isobutylcyclopentanone |
| IUPAC Name | 3-(2-methylpropyl)cyclopentan-1-one |
| InChI | InChI=1S/C9H16O/c1-7(2)5-8-3-4-9(10)6-8/h7-8H,3-6H2,1-2H3 |
| InChI Key | HVLJAVCVDGMFKX-UHFFFAOYSA-N |
| MDL Number | MFCD20361790 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | CC(CC1CC(=O)CC1)C |
| Synonyms | 3-Isobutylcyclopentanone,
53002-97-4,
3-(2-methylpropyl)cyclopentan-1-one,
SCHEMBL2691430,
MFCD20361790,
AKOS013845560,
NE47399,
AS-32916,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.226g/mol |
| Monoisotopic Mass | 140.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number