1-Hydroxynonan-4-one
Basic information
- CAS
107841-11-2- Standard SMILES
CCCCCC(=O)CCCO- InChIKey
DSRRWSQXJRQZMJ-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 1-Hydroxynonan-4-one
- IUPAC
- 1-hydroxynonan-4-one
Names & synonyms
1-HYDROXYNONAN-4-ONE107841-11-2DTXSID70544769RefChem:230924DTXCID60495554SCHEMBL2533966SCHEMBL2533967
Database identifiers
- CAS
107841-11-2- PubChem CID
- 13601004
- DTXSID
DTXSID70544769- Nikkaji
- J502.056E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
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Related reactions
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Compound notes
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