Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(C#N)=C(O)CCl- InChIKey
OXDTUTISSCXSSZ-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO3
- Average molar mass
- 217.65 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-cyano-3-hydroxy-but-2-enoic acid tert-butyl ester
- IUPAC
- tert-butyl 4-chloro-2-cyano-3-hydroxybut-2-enoate
Names & synonyms
SCHEMBL3192961OXDTUTISSCXSSZ-UHFFFAOYSA-N4-chloro-2-cyano-3-hydroxy-but-2-enoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 76837579
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
Related reactions
3 records
Compound notes
Loading…