(R*,S*)-2,3-Dichlorosuccinic acid
Basic information
- CAS
19922-87-3- Standard SMILES
O=C(O)C(Cl)C(Cl)C(=O)O- InChIKey
XSCRWBSKSVOZOK-UHFFFAOYSA-N- Molecular formula
- C4H4Cl2O4
- Average molar mass
- 186.97 g/mol
- Monoisotopic mass
- 185.948664
Overview
See also: Butanedioic acid, 2,3-dichloro-, (2R,3S)-rel- (annotation moved to).
Names & identifiers
- Preferred name
- (R*,S*)-2,3-Dichlorosuccinic acid
- IUPAC
- 2,3-dichlorobutanedioic acid
- English name
- 2,3-Dichlorobutanedioic acid
- Molecular formula
- C4H4Cl2O4
- Molecular weight
- 186.98
Names & synonyms
2,3-dichlorobutanedioic acid2,3-dichlorosuccinic acid(R*,S*)-2,3-Dichlorosuccinic acid19922-87-3EINECS 223-366-5(-)-DichlorbernsteinsaureSCHEMBL4251684Succinic acid, 2,3-dichloro-DTXSID70960849Butanedioic acid, 2,3-dichloro-NSC 6052940471-13-4
Show more names
NS00046226
Database identifiers
- CAS
19922-87-3、3856-37-9、40471-13-4- PubChem CID
- 96228
- DTXSID
DTXSID70960849- Nikkaji
- J82.915C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 168 °C · 168°C
- Boiling point
- 267.5 °C · 267.5°C (rough estimate)
- Density
- 1.6997 · 1.6997 (rough estimate)
- refractive index
- 1.457 · 1.4570 (estimate)
- Water Solubility
- 500 g/L · 500g/L(25 ºC)
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Compound notes
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