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bicyclo[1.1.1]pentane-1,3-dicarbonitrile

bicyclo[1.1.1]pentane-1,3-dicarbonitrile

CAS: 97460-11-2

Formula: C7H6N2

SMILES: N#CC12CC(C1)(C2)C#N

IUPAC: bicyclo[1.1.1]pentane-1,3-dicarbonitrile

InChI: InChI=1S/C7H6N2/c8-4-6-1-7(2-6,3-6)5-9/h1-3H2

Composition: C (71.17%), H (5.12%), N (23.71%)

Molar Mass: 118.139

Atom Count: 15

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 118.053098201
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HNTKAPVQSNQYAX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.44
Topological Polar Surface Area 47.58
Polarizability 11.87
Ring Count 2
Rotatable Bond Count 0

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97% <5 Days 97460-11-2 $442.61-$2,089.48$442.61$771.73$2,089.48
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