4-Oxoheptanedinitrile
Basic information
- CAS
66619-32-7- Standard SMILES
N#CCCC(=O)CCC#N- InChIKey
RFFXUIKJDDUCGI-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Names & identifiers
- Preferred name
- 4-Oxoheptanedinitrile
- IUPAC
- 4-oxoheptanedinitrile
Names & synonyms
4-OXOHEPTANEDINITRILE66619-32-7DTXSID30547256RefChem:295281DTXCID60498040Heptanedinitrile, 4-oxo-SCHEMBL11064741
Database identifiers
- CAS
66619-32-7- PubChem CID
- 13706751
- DTXSID
DTXSID30547256- Nikkaji
- J823.811A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 180
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Related reactions
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Compound notes
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