Malononitrile, (1-ethynylcyclohexyl)-
Basic information
- CAS
73747-66-7- Standard SMILES
N#CC(C#N)C#CC1CCCCC1- InChIKey
LIQNZIMFFGLQRN-UHFFFAOYSA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004839
Names & identifiers
- Preferred name
- Malononitrile, (1-ethynylcyclohexyl)-
- IUPAC
- 2-(2-cyclohexylethynyl)propanedinitrile
- English name
- 1-Ethynylcyclohexylmalononitrile
- Molecular weight
- 0
Names & synonyms
MALONONITRILE, (1-ETHYNYLCYCLOHEXYL)-BRN 2639326(1-(1-Ethynyl)cyclohexyl)malononitrile73747-66-7DTXSID90224091RefChem:351853DTXCID90146582(cyclohexylethynyl)propanedinitrile1-Ethynylcyclohexylmalononitrile
Database identifiers
- CAS
73747-66-7- PubChem CID
- 52383
- DTXSID
DTXSID90224091
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 302
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Related reactions
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Compound notes
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