1,4-Dimethyl 2,3-dichloro-2-butenedioate
Basic information
- CAS
76788-77-7- Standard SMILES
COC(=O)C(Cl)=C(Cl)C(=O)OC- InChIKey
YGDFORZEKOJPAN-UHFFFAOYSA-N- Molecular formula
- C6H6Cl2O4
- Average molar mass
- 213.01 g/mol
- Monoisotopic mass
- 211.9643141
Names & identifiers
- Preferred name
- 1,4-Dimethyl 2,3-dichloro-2-butenedioate
- IUPAC
- dimethyl 2,3-dichlorobut-2-enedioate
Names & synonyms
SCHEMBL9720623DTXSID80137871176788-77-71,4-Dimethyl 2,3-dichloro-2-butenedioate
Database identifiers
- CAS
76788-77-7- PubChem CID
- 96334
- DTXSID
DTXSID801378711
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
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Related reactions
2 records
Compound notes
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