Basic information
- CAS
3533-59-3- Standard SMILES
CC(=CCl)C(=O)O- InChIKey
WSUIRDORMCYOBS-UHFFFAOYSA-N- Molecular formula
- C4H5ClO2
- Average molar mass
- 120.53 g/mol
- Monoisotopic mass
- 119.9978071
Names & identifiers
- Preferred name
- 3-Chloro-2-methylprop-2-enoic acid
- IUPAC
- 3-chloro-2-methylprop-2-enoic acid
Names & synonyms
3-chloro-2-methylprop-2-enoic acid3533-59-3DTXSID90288032RefChem:278201DTXCID80239179propenoic acid, 3-chloro-2-methyl-SCHEMBL163574
Database identifiers
- CAS
3533-59-3- PubChem CID
- 243727
- DTXSID
DTXSID90288032
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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