Basic information
- CAS
60298-17-1- Standard SMILES
CCOC(=O)C(C)C(C#N)C(=O)OCC- InChIKey
YGEGVBWONVKDHX-UHFFFAOYSA-N- Molecular formula
- C10H15NO4
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.10010796
Names & identifiers
- Preferred name
- Diethyl 2-cyano-3-methylbutanedioate
- IUPAC
- diethyl 2-cyano-3-methylbutanedioate
- English name
- Butanedioic acid, 2-cyano-3-methyl-, diethyl ester (9CI)
- Molecular formula
- C10H15NO4
- Molecular weight
- 213.23
Names & synonyms
diethyl 2-cyano-3-methylbutanedioate60298-17-1DTXSID10290415Butanedioic acid, 2-cyano-3-methyl-, diethyl esterRefChem:337823DTXCID90241561YGEGVBWONVKDHX-UHFFFAOYSA-N1,4-DIETHYL 2-CYANO-3-METHYLBUTANEDIOATEDiethyl 2-cyano-3-methylsuccinateNSC68514NSC-68514Butanedioic acid, 2-cyano-3-methyl-, 1,4-diethyl ester
Show more names
Butanedioic acid, 2-cyano-3-methyl-, diethyl ester (9CI)
Database identifiers
- CAS
60298-17-1- PubChem CID
- 249809
- DTXSID
DTXSID10290415
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 148 · 148-150 °C(Press: 4 Torr)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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