1,4-Dimethyl (2E)-2-chloro-2-butenedioate
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Basic information
- CAS
19393-45-4- Standard SMILES
COC(=O)/C=C(/Cl)C(=O)OC- InChIKey
VYXGXXYXSAMWBM-ONEGZZNKSA-N- Molecular formula
- C6H7ClO4
- Average molar mass
- 178.57 g/mol
- Monoisotopic mass
- 178.0032864
Names & identifiers
- Preferred name
- 1,4-Dimethyl (2E)-2-chloro-2-butenedioate
- IUPAC
- dimethyl (E)-2-chlorobut-2-enedioate
- English name
- 2-Chloro-2-butenedioic acid dimethyl ester
- Molecular formula
- C6H7ClO4
- Molecular weight
- 178.57
Names & synonyms
19393-45-4RefChem:10532871,4-Dimethyl (2E)-2-chloro-2-butenedioateMaleate, chloro-, dimethylTL 407dimethyl (E)-2-chlorobut-2-enedioateBRN 1724083Chloromaleic acid dimethyl esterMALEIC ACID, CHLORO-, DIMETHYL ESTERDimethyl chloromaleate2-Chloro-2-butenedioic acid dimethyl ester3-02-00-01928 (Beilstein Handbook Reference)
Show more names
TL-4072-Butenedioic acid, 2-chloro-, 1,4-dimethyl ester, (2E)-
SCHEMBL4254467chloro-maleic acid dimethyl esterDTXSID101031251
Database identifiers
- CAS
19393-45-4- PubChem CID
- 6433737
- DTXSID
DTXSID101031251- Nikkaji
- J192.713B
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 254.34 °C · 254.34°C (rough estimate)
- Density
- 1.2899 · 1.2899
- refractive index
- 1.472 · 1.4720 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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