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Home > Other Heterocycles > 918658-71-6
918658-71-6 | 5-Azabicyclo[2.1.0]pent-2-ene-2-carbonitrile, 1-methyl-
CAS No: 918658-71-6 Catalog No: AG006O7A MDL No:
Product Description
Catalog Number:
AG006O7A
Chemical Name:
5-Azabicyclo[2.1.0]pent-2-ene-2-carbonitrile, 1-methyl-
CAS Number:
918658-71-6
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
1-methyl-5-azabicyclo[2.1.0]pent-2-ene-2-carbonitrile
InChI:
InChI=1S/C6H6N2/c1-6-4(3-7)2-5(6)8-6/h2,5,8H,1H3
InChI Key:
GVNOZSYYLJFXLX-UHFFFAOYSA-N
SMILES:
CC12NC1C=C2C#N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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