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Home > Other Heterocycles > 133546-66-4
133546-66-4 | 2,3-DIAZABICYCLO[2.2.2]OCT-5-ENE-2-CARBONITRILE
CAS No: 133546-66-4 Catalog No: AG0072GX MDL No:MFCD18811873
Product Description
Catalog Number:
AG0072GX
Chemical Name:
2,3-DIAZABICYCLO[2.2.2]OCT-5-ENE-2-CARBONITRILE
CAS Number:
133546-66-4
Molecular Formula:
C7H9N3
Molecular Weight:
135.1665
MDL Number:
MFCD18811873
IUPAC Name:
2,3-diazabicyclo[2.2.2]oct-5-ene-2-carbonitrile
InChI:
InChI=1S/C7H9N3/c8-5-10-7-3-1-6(9-10)2-4-7/h1,3,6-7,9H,2,4H2
InChI Key:
ZIPYTPHKFFSLCF-UHFFFAOYSA-N
SMILES:
C1CC2NN(C1C=C2)C#N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.08g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.17g/mol
Monoisotopic Mass:
135.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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