| CAS Number | 6301-49-1 |
| Catalog Number | AG01FQ68(AGN-PC-0JOEKE) |
| Chemical Name | 3-Butylcyclohex-2-en-1-one |
| IUPAC Name | 3-butylcyclohex-2-en-1-one |
| InChI | InChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h8H,2-7H2,1H3 |
| InChI Key | SJYRTKPGUIZRFJ-UHFFFAOYSA-N |
| MDL Number | MFCD19301004 |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.2334 |
| NSC Number | 43892 |
| SMILES | CCCCC1=CC(=O)CCC1 |
| Synonyms | 3-butylcyclohex-2-en-1-one,
6301-49-1,
NSC43892,
3-Butylcyclohexenone,
3-butyl-2-cyclohexen-1-one,
3-butyl-cyclohex-2-en-1-one,
SCHEMBL4869101,
3-n-butyl-2-cyclohexen-1-one,
CTK5B7071,
DTXSID10286131,
SJYRTKPGUIZRFJ-UHFFFAOYSA-N,
ZINC4802893,
NSC-43892,
AKOS014312030,
AS-58688,
TX-016702,
AC1Q6BTO,
AC1L62F3,
AR-1F2387,
CID239095,
6961-92-8,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.120115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.23g/mol |
| Monoisotopic Mass | 152.120115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number