Basic information
- CAS
935744-33-5- Standard SMILES
COC(=O)C(Cl)=C(C)O- InChIKey
VIVPUZFUFVXVEH-UHFFFAOYSA-N- Molecular formula
- C5H7ClO3
- Average molar mass
- 150.56 g/mol
Names & identifiers
- Preferred name
- CID 85558351
- IUPAC
- methyl 2-chloro-3-hydroxybut-2-enoate
- English name
- 2-Butenoic acid, 2-chloro-3-hydroxy-, methyl ester, radical ion(1+), (2E)-
- Molecular formula
- C5H7ClO3
- Molecular weight
- 150.56
Names & synonyms
2-Butenoic acid, 2-chloro-3-hydroxy-, methyl ester, radical ion(1+), (2E)-
Database identifiers
- CAS
935744-33-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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