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Search term: BOSZBOKJIYNCRC
Found by InChIKey (skeleton match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 17215017
Empirical Formula: CCaN2
Molecular Weight: 80.1026
Nominal Mass: 80 Da
Average Mass: 80.1026 Da
Monoisotopic Mass: 79.969288 Da
Quick Links: Permalink Similar Isomers
Systematic Name:
SMILES:
InChI: InChI=1/CN2.Ca.H/c2-1-3;;/q-2;+1;/rCN2.CaH/c2-1-3;/h;1H/q-2;+1
InChIKey: BOSZBOKJIYNCRC-UIHQKXMUAT
(Details...) Predicted Properties
LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 2 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 23.79 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C
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