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Home > Other Heterocycles > 162376-16-1
162376-16-1 | Bicyclo[2.1.1]hex-2-yne
CAS No: 162376-16-1 Catalog No: AG001T1L MDL No:
Product Description
Catalog Number:
AG001T1L
Chemical Name:
Bicyclo[2.1.1]hex-2-yne
CAS Number:
162376-16-1
Molecular Formula:
C6H6
Molecular Weight:
78.1118
IUPAC Name:
bicyclo[2.1.1]hex-2-yne
InChI:
InChI=1S/C6H6/c1-2-6-3-5(1)4-6/h5-6H,3-4H2
InChI Key:
ICPYZAJIKKYJCC-UHFFFAOYSA-N
SMILES:
C1C2CC1C#C2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
78.047g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
78.114g/mol
Monoisotopic Mass:
78.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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