2-(3-oxobutyl)-2H-furan-5-one
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Basic information
- Standard SMILES
CC(=O)CCC1C=CC(=O)O1- InChIKey
ZRUQGLVWXCRKNO-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 2-(3-oxobutyl)-2H-furan-5-one
- IUPAC
- 2-(3-oxobutyl)-2H-furan-5-one
Names & synonyms
NSC619099NSC-619099
Database identifiers
- PubChem CID
- 358937
- Nikkaji
- J2.544.454J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
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Compound notes
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