Basic information
- CAS
68066-06-8- Standard SMILES
CC(=O)CCC(=O)OCCCl- InChIKey
KIHRLAUMCDEDFS-UHFFFAOYSA-N- Molecular formula
- C7H11ClO3
- Average molar mass
- 178.61 g/mol
- Monoisotopic mass
- 178.0396719
Names & identifiers
- Preferred name
- 2-Chloroethyl 4-oxopentanoate
- IUPAC
- 2-chloroethyl 4-oxopentanoate
Names & synonyms
68066-06-82-chloroethyl 4-oxopentanoateNSC40966DTXSID50285204NSC-40966
Database identifiers
- CAS
68066-06-8- PubChem CID
- 237464
- DTXSID
DTXSID50285204
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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