Basic information
- Standard SMILES
CC(=O)CC1=C(O)CCCC1=O- InChIKey
SQDCKSLNGBGZQG-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(2-oxopropyl)-2-cyclohexen-1-one
- IUPAC
- 3-hydroxy-2-(2-oxopropyl)cyclohex-2-en-1-one
Names & synonyms
SCHEMBL10427132SQDCKSLNGBGZQG-UHFFFAOYSA-N3-hydroxy-2(2-oxopropyl)-2-cyclohexene-1-one3-Hydroxy-2-(2-oxopropyl)-2-cyclohexen-1-one
Database identifiers
- PubChem CID
- 7481702
- Nikkaji
- J653.773A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 250
Related reactions
3 records
Compound notes
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