ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
Basic information
- CAS
830319-50-1- Standard SMILES
CCOC(=O)[C@@H](O)C=Cc1ccc(Cl)cc1- InChIKey
KHPKHLYVBLYBOY-NSHDSACASA-N- Molecular formula
- C12H13ClO3
- Average molar mass
- 240.68 g/mol
- Monoisotopic mass
- 240.055322
Names & identifiers
- Preferred name
- ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
- IUPAC
- ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate
Names & synonyms
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybut-3-enoate830319-50-1DTXSID30836011
Database identifiers
- CAS
830319-50-1- PubChem CID
- 71416635
- DTXSID
DTXSID30836011
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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