Basic information
- CAS
819884-01-0- Standard SMILES
CC(C)CC(=O)c1c2cccccc-2oc1=O- InChIKey
YESURMWYVATJKB-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 3-(3-Methylbutanoyl)-2H-cyclohepta[b]furan-2-one
- IUPAC
- 3-(3-methylbutanoyl)cyclohepta[b]furan-2-one
Names & synonyms
3-(3-Methylbutanoyl)-2H-cyclohepta[b]furan-2-one819884-01-0DTXSID60839772
Database identifiers
- CAS
819884-01-0- PubChem CID
- 71420587
- DTXSID
DTXSID60839772- Nikkaji
- J2.112.286F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…