Bis(2-cyanoethyl) butanedioate
Basic information
- CAS
71228-07-4- Standard SMILES
N#CCCOC(=O)CCC(=O)OCCC#N- InChIKey
JRLXTODTQYWZMX-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- Bis(2-cyanoethyl) butanedioate
- IUPAC
- bis(2-cyanoethyl) butanedioate
Names & synonyms
bis(2-cyanoethyl) butanedioate71228-07-4NSC137919SCHEMBL10011229DTXSID90300627NSC-137919DS-010528
Database identifiers
- CAS
71228-07-4- PubChem CID
- 283369
- DTXSID
DTXSID90300627
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
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Related reactions
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Compound notes
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