| CAS Number | 6635-68-3 |
| Catalog Number | AG006MXU(AGN-PC-0JOH3M) |
| Chemical Name | 1-cyclopentylbutan-1-one |
| IUPAC Name | 1-cyclopentylbutan-1-one |
| InChI | InChI=1S/C9H16O/c1-2-5-9(10)8-6-3-4-7-8/h8H,2-7H2,1H3 |
| InChI Key | GUXITNMMJFSULS-UHFFFAOYSA-N |
| MDL Number | MFCD04368901 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| NSC Number | 52300 |
| SMILES | CCCC(C1CCCC1)=O |
| Synonyms | 1-cyclopentylbutan-1-one,
6635-68-3,
NSC52300,
AC1L6ASL,
1-cyclopentyl-butan-1-one,
AC1Q5H54,
SCHEMBL2127808,
CTK5C4391,
ZINC1683928,
(-)-Alpha-allyl-cyclopentanemethanol,
NSC-52300,
AKOS010015358,
ZINC100018844,
J-500015,
Z2238509028,
AR-1C2655,
CID243075,
7595-40-6,
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| Complexity | 112 |
| 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 | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number