Methyl 2-cyano-4,4-diethoxybutanoate
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Basic information
- CAS
343633-25-0- Standard SMILES
CCOC(CC(C#N)C(=O)OC)OCC- InChIKey
YALZVCXTKKLTHU-UHFFFAOYSA-N- Molecular formula
- C10H17NO4
- Average molar mass
- 215.25 g/mol
Names & identifiers
- Preferred name
- Methyl 2-cyano-4,4-diethoxybutanoate
- IUPAC
- methyl 2-cyano-4,4-diethoxybutanoate
- English name
- Butanoic acid, 2-cyano-4,4-diethoxy-, methyl ester (9CI)
- Molecular formula
- C10H17NO4
- Molecular weight
- 215.25
Names & synonyms
343633-25-0SCHEMBL7750328DA-32986methyl 2-cyano-4,4-diethoxybutanoateButanoic acid, 2-cyano-4,4-diethoxy-, methyl esterButanoic acid, 2-cyano-4,4-diethoxy-, methyl ester (9CI)
Database identifiers
- CAS
343633-25-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 320 · 320.0±42.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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