2,2,3,4,6,6,6-Heptachloro-5-oxo-3-hexenoic acid
Basic information
- CAS
101205-16-7- Standard SMILES
O=C(C(Cl)=C(Cl)C(Cl)(Cl)C(=O)O)C(Cl)(Cl)Cl- InChIKey
YSXWWKXMWLUPDV-UHFFFAOYSA-N- Molecular formula
- C6HCl7O3
- Average molar mass
- 369.2 g/mol
- Monoisotopic mass
- 365.774538
Names & identifiers
- Preferred name
- 2,2,3,4,6,6,6-Heptachloro-5-oxo-3-hexenoic acid
- IUPAC
- 2,2,3,4,6,6,6-heptachloro-5-oxohex-3-enoic acid
Names & synonyms
101205-16-72,2,3,4,6,6,6-Heptachloro-5-oxo-3-hexenoic acidDTXSID801023271
Database identifiers
- CAS
101205-16-7- PubChem CID
- 85524249
- DTXSID
DTXSID801023271
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
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