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Basic information
- CAS
103602-47-7- Standard SMILES
CCOC(=O)CC(=O)C(C)Cl- InChIKey
CCUTVTFBCKCUPH-UHFFFAOYSA-N- Molecular formula
- C7H11ClO3
- Average molar mass
- 178.61 g/mol
- Monoisotopic mass
- 178.03967189
Names & identifiers
- Preferred name
- Ethyl 4-chloro-3-oxopentanoate
- IUPAC
- ethyl 4-chloro-3-oxopentanoate
Names & synonyms
ethyl 4-chloro-3-oxopentanoate103602-47-7DTXSID20515722RefChem:343899DTXCID80466529ethyl a-chloropropionylacetateethyl 2-chloropropionylacetateSCHEMBL6180806CCUTVTFBCKCUPH-UHFFFAOYSA-NDA-21035
Database identifiers
- CAS
103602-47-7- PubChem CID
- 13030833
- DTXSID
DTXSID20515722
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Related reactions
10 records
Compound notes
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