Basic information
- CAS
50901-13-8- Standard SMILES
O=C(O)CCC(Cl)(Cl)C(=O)O- InChIKey
XFNCLICUOWQWLG-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2O4
- Average molar mass
- 201 g/mol
- Monoisotopic mass
- 199.9643141
Names & identifiers
- Preferred name
- 2,2-Dichloropentanedioic acid
- IUPAC
- 2,2-dichloropentanedioic acid
Names & synonyms
2,2-DICHLOROPENTANEDIOIC ACID50901-13-8SCHEMBL2119588DTXSID80198934
Database identifiers
- CAS
50901-13-8- PubChem CID
- 39835
- DTXSID
DTXSID80198934- Nikkaji
- J1.619.707F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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