Basic information
- CAS
82698-94-0- Standard SMILES
CC1(C)COC(=O)C1=C(C#N)C#N- InChIKey
CSBZXUNMMYGOOS-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 2-(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile
- IUPAC
- 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedinitrile
Names & synonyms
2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedinitrile82698-94-0DTXSID70316802RefChem:251771DTXCID10267925NSC306931NSC-306931(4,4-Dimethyl-2-oxooxolan-3-ylidene)propanedinitrile
Database identifiers
- CAS
82698-94-0- PubChem CID
- 328484
- DTXSID
DTXSID70316802
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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