5,6-Dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal

HCID 99996

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Basic information

CAS: 53915-35-8
Standard SMILES: C=CC(C)(Cl)C(Cl)C=CC(C=O)=CCl
InChIKey: VUMGFDOJOXNAHX-UHFFFAOYSA-N
Molecular formula: C10H11Cl3O
Average molar mass: 253.5 g/mol
Monoisotopic mass: 251.987548

Names & identifiers

Preferred name: 5,6-Dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal
IUPAC: 5,6-dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal

Names & synonyms

5,6-dichloro-2-(chloromethylidene)-6-methylocta-3,7-dienal53915-35-83,7-Octadienal, 5,6-dichloro-2-(chloromethylene)-6-methyl-DTXSID501192118DB-3063265,6-Dichloro-2-(chloromethylene)-6-methyl-3,7-octadienal

Database identifiers

CAS: 53915-35-8
PubChem CID: 99996
DTXSID: DTXSID501192118

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 271

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