Basic information
- CAS
64037-75-8- Standard SMILES
COC(=O)CCC(Cl)C(C)=O- InChIKey
YUCXDPOYXKHKRS-UHFFFAOYSA-N- Molecular formula
- C7H11ClO3
- Average molar mass
- 178.61 g/mol
- Monoisotopic mass
- 178.0396719
Names & identifiers
- Preferred name
- Methyl 4-chloro-5-oxohexanoate
- IUPAC
- methyl 4-chloro-5-oxohexanoate
- English name
- 4-Acetyl-4-chlorobutyric acid methyl ester
- Molecular formula
- C7H11ClO3
- Molecular weight
- 178.61
Names & synonyms
methyl 4-chloro-5-oxohexanoate64037-75-8DTXSID90982028RefChem:1089467DTXCID001409293ChloracetopropylacetateBRN 1938452BUTYRIC ACID, 4-ACETYL-4-CHLORO-, METHYL ESTER4-Acetyl-4-chlorobutyric acid methyl esterDB-305462Hexanoic acid, 4-chloro-5-oxo-, methyl ester
Database identifiers
- CAS
64037-75-8- PubChem CID
- 46439
- DTXSID
DTXSID90982028- Nikkaji
- J65.854E
Properties
Computed structural properties
- XLogP
- 0.8
- 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
0 records
No reaction records under the current filter.
Compound notes
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