Basic information
- Standard SMILES
CCOC(=O)C(CC)C(=O)O.[Cl-]- InChIKey
STJVBOFXTLVXKB-UHFFFAOYSA-M- Molecular formula
- C7H12ClO4-
- Average molar mass
- 195.62 g/mol
- Monoisotopic mass
- 195.0424116
Names & identifiers
- Preferred name
- Ethylmalonic acid monoethyl ester monochloride
- IUPAC
- 2-ethoxycarbonylbutanoic acid chloride
Names & synonyms
STJVBOFXTLVXKB-UHFFFAOYSA-Methylmalonic acid monoethyl ester monochloride
Database identifiers
- PubChem CID
- 86748288
Properties
Computed structural properties
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 153
Related reactions
1 records
Compound notes
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