(5,5-Dichloropenta-2,4-dien-1-ylidene)propanedial
Basic information
- CAS
98834-97-0- Standard SMILES
O=CC(C=O)=CC=CC=C(Cl)Cl- InChIKey
ZKBIKMVYEJCDGM-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O2
- Average molar mass
- 205.03 g/mol
- Monoisotopic mass
- 203.9744848
Names & identifiers
- Preferred name
- (5,5-Dichloropenta-2,4-dien-1-ylidene)propanedial
- IUPAC
- 2-(5,5-dichloropenta-2,4-dienylidene)propanedial
- English name
- 1,1-Diformyl-6,6-dichlorohexa-1,3,5-triene
- Molecular formula
- C8H6Cl2O2
- Molecular weight
- 205.04
Names & synonyms
98834-97-0(5,5-Dichloropenta-2,4-dien-1-ylidene)propanedialDTXSID00339367Reaxys ID: 46578261,1-Diformyl-6,6-dichlorohexa-1,3,5-trienePropanedial, 2-(5,5-dichloro-2,4-pentadien-1-ylidene)-
Database identifiers
- CAS
98834-97-0- PubChem CID
- 555676
- DTXSID
DTXSID00339367
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 87 · 87-89.5 °C
- Boiling point
- 306.2 · 306.2±42.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…