Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-
Basic information
- CAS
69920-36-1- Standard SMILES
O=C1CCC/C1=C\c1ccc2c(c1)OCO2- InChIKey
WGPZONFYCCSFLS-UXBLZVDNSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-
- IUPAC
- (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
Names & synonyms
Cyclopentanone, 2-(1,3-benzodioxol-5-ylmethylene)-69920-36-1RefChem:10827172-(1,3-Benzodioxol-5-ylmethylene)cyclopentanone
Database identifiers
- CAS
69920-36-1- PubChem CID
- 834693
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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