3-Chloro-2-butenoic acid
Basic information
- CAS
55831-56-6- Standard SMILES
CC(Cl)=CC(=O)O- InChIKey
XBOTUWGQYMHUFO-UHFFFAOYSA-N- Molecular formula
- C4H5ClO2
- Average molar mass
- 120.53 g/mol
- Monoisotopic mass
- 119.9978071
Names & identifiers
- Preferred name
- 3-Chloro-2-butenoic acid
- IUPAC
- 3-chlorobut-2-enoic acid
Names & synonyms
3-Chloro-2-butenoic acid3-chlorobutenoic acidSCHEMBL243449DTXSID301018720AKOS0174090682-Butenoic acid, 3-chloro-, (2Z)-(2Z)-3-chlorobut-2-enoic acid
Database identifiers
- CAS
55831-56-6- PubChem CID
- 98213
- DTXSID
DTXSID301018720
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
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Compound notes
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