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Home > Other Heterocycles > 188839-70-5
188839-70-5 | Propanedinitrile, 2-(7-oxabicyclo[2.2.1]hept-2-ylidene)-
CAS No: 188839-70-5 Catalog No: AG002HDY MDL No:
Product Description
Catalog Number:
AG002HDY
Chemical Name:
Propanedinitrile, 2-(7-oxabicyclo[2.2.1]hept-2-ylidene)-
CAS Number:
188839-70-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
2-(7-oxabicyclo[2.2.1]heptan-2-ylidene)propanedinitrile
InChI:
InChI=1S/C9H8N2O/c10-4-6(5-11)8-3-7-1-2-9(8)12-7/h7,9H,1-3H2
InChI Key:
SPSMPLSZMXPQJJ-UHFFFAOYSA-N
SMILES:
N#CC(=C1CC2OC1CC2)C#N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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