2-Butenedioic acid, 2-chloro-3-methyl-, (E)-
Basic information
- CAS
161708-24-3- Standard SMILES
C/C(C(=O)O)=C(\Cl)C(=O)O- InChIKey
OBQOLJUAOGDIIZ-NSCUHMNNSA-N- Molecular formula
- C5H5ClO4
- Average molar mass
- 164.54 g/mol
- Monoisotopic mass
- 163.9876363
Names & identifiers
- Preferred name
- 2-Butenedioic acid, 2-chloro-3-methyl-, (E)-
- IUPAC
- (E)-2-chloro-3-methylbut-2-enedioic acid
Names & synonyms
(2E)-2-Chloro-3-methyl-2-butenedioic acidCCRIS 8798161708-24-32-Butenedioic acid, 2-chloro-3-methyl-, (E)-RefChem:2579092-chloro-3-methyl maleic acidSCHEMBL11154607DTXSID701023335
Database identifiers
- CAS
161708-24-3- PubChem CID
- 3036730
- DTXSID
DTXSID701023335- Nikkaji
- J992.675E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 206
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Compound notes
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