Dimethyl 2-chloro-3-oxopentanedioate
Basic information
- CAS
56417-64-2- Standard SMILES
COC(=O)CC(=O)C(Cl)C(=O)OC- InChIKey
KMWRXWZCNKWYSF-UHFFFAOYSA-N- Molecular formula
- C7H9ClO5
- Average molar mass
- 208.59 g/mol
- Monoisotopic mass
- 208.0138511
Names & identifiers
- Preferred name
- Dimethyl 2-chloro-3-oxopentanedioate
- IUPAC
- dimethyl 2-chloro-3-oxopentanedioate
Names & synonyms
NSC24085756417-64-2NSC 240857dimethyl 2-chloro-3-oxopentanedioateSCHEMBL7300819DTXSID90311273NSC-240857
Database identifiers
- CAS
56417-64-2- PubChem CID
- 315523
- DTXSID
DTXSID90311273
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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