Basic information
- CAS
149230-79-5- Standard SMILES
C/C(C(=O)O)=C(/Cl)C(=O)O- InChIKey
OBQOLJUAOGDIIZ-IHWYPQMZSA-N- Molecular formula
- C5H5ClO4
- Average molar mass
- 164.54 g/mol
- Monoisotopic mass
- 163.9876363
Names & identifiers
- Preferred name
- 2-Chloro-3-methyl-2-butenedioic acid
- IUPAC
- (Z)-2-chloro-3-methylbut-2-enedioic acid
Names & synonyms
2-Chloro-3-methyl-2-butenedioic acid2-Chloro-methylbutenedioic acid(2Z)-2-chloro-3-methylbut-2-enedioic acidSCHEMBL3607500DTXSID50215422-chloro-3-methyl-cis-butenedioic acid(2Z)-2-Chloro-3-methyl-2-butenedioic acid474745-47-6
Database identifiers
- CAS
149230-79-5、474745-47-6- PubChem CID
- 5284491
- DTXSID
DTXSID5021542- Nikkaji
- J1.020.604I、J885.886A
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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