(E)-1-(1,3-benzodioxol-5-yl)non-1-en-3-one
Basic information
- CAS
56750-98-2- Standard SMILES
CCCCCCC(=O)/C=C/c1ccc2c(c1)OCO2- InChIKey
PJPGDSMGAMXPEF-VQHVLOKHSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- (E)-1-(1,3-benzodioxol-5-yl)non-1-en-3-one
- IUPAC
- (E)-1-(1,3-benzodioxol-5-yl)non-1-en-3-one
Names & synonyms
NSC26758756750-98-2DTXSID40422020NSC-267587(1E)-1-(2H-1,3-Benzodioxol-5-yl)non-1-en-3-one
Database identifiers
- CAS
56750-98-2- PubChem CID
- 6103129
- DTXSID
DTXSID40422020
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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