| CAS Number | 58016-29-8 |
| Catalog Number | AG00EL9M(AGN-PC-038SQW) |
| Chemical Name | 3-Hydroxy-5-pentylcyclohex-2-enone |
| IUPAC Name | 3-hydroxy-5-pentylcyclohex-2-en-1-one |
| InChI | InChI=1S/C11H18O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h8-9,12H,2-7H2,1H3 |
| InChI Key | CBHXMWWKQZREOA-UHFFFAOYSA-N |
| MDL Number | MFCD23135539 |
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.2594 |
| SMILES | CCCCCC1CC(O)=CC(=O)C1 |
| Synonyms | 3-Hydroxy-5-pentylcyclohex-2-enone,
58016-29-8,
3-HYDROXY-5-PENTYLCYCLOHEX-2-EN-1-ONE,
CTK8C0496,
DTXSID60612163,
8573AB,
ANW-64764,
MFCD23135539,
AKOS016005182,
3-Hydroxy-5-n-pentyl-2-cyclohexen-1-on,
AX8235011,
TC-153509,
CS-0061491,
3 - Hydroxy - 5 - n - pentyl - 2 - cyclohexen - 1 - on,
C11H18O2,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.263g/mol |
| Monoisotopic Mass | 182.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number