2,4-Dichloropentanedioic acid
Basic information
- CAS
5103-70-8- Standard SMILES
O=C(O)C(Cl)CC(Cl)C(=O)O- InChIKey
LGMBNRWVBHGKSO-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2O4
- Average molar mass
- 201 g/mol
- Monoisotopic mass
- 199.9643141
Names & identifiers
- Preferred name
- 2,4-Dichloropentanedioic acid
- IUPAC
- 2,4-dichloropentanedioic acid
Names & synonyms
2,4-Dichloropentanedioic acid5103-70-8DTXSID80708532RefChem:246346DTXCID10659280SCHEMBL627720
Database identifiers
- CAS
5103-70-8- PubChem CID
- 54032328
- DTXSID
DTXSID80708532- Nikkaji
- J1.523.188B
Properties
Computed structural properties
- XLogP
- 1
- 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
- 152
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Compound notes
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