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Home > Other Heterocycles > 130687-33-1
130687-33-1 | 2-Azabicyclo[2.2.1]hept-5-ene-2-acetonitrile
CAS No: 130687-33-1 Catalog No: AG000UTI MDL No:
Product Description
Catalog Number:
AG000UTI
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-ene-2-acetonitrile
CAS Number:
130687-33-1
Molecular Formula:
C8H10N2
Molecular Weight:
134.1784
IUPAC Name:
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)acetonitrile
InChI:
InChI=1S/C8H10N2/c9-3-4-10-6-7-1-2-8(10)5-7/h1-2,7-8H,4-6H2
InChI Key:
IXLYSWLDWQZJPO-UHFFFAOYSA-N
SMILES:
C(C#N)N1CC2CC1C=C2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.182g/mol
Monoisotopic Mass:
134.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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