2-Hexynenitrile

HCID 327216

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Basic information

CAS: 41727-22-4
Standard SMILES: CCCC#CC#N
InChIKey: INVGOSUVGOZKSG-UHFFFAOYSA-N
Molecular formula: C6H7N
Average molar mass: 93.13 g/mol
Monoisotopic mass: 93.05784923

Names & identifiers

Preferred name: 2-Hexynenitrile
IUPAC: hex-2-ynenitrile

Names & synonyms

2-Hexynenitrile41727-22-4DTXSID40316253RefChem:261480DTXCID80267376hex-2-ynenitrileNSC-301429cyanopentayneNSC301429W5UB5PXM3MSCHEMBL270841SCHEMBL4607429

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DS-013322

Database identifiers

CAS: 41727-22-4
PubChem CID: 327216
DTXSID: DTXSID40316253
UNII: W5UB5PXM3M

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 135

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