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Home > Other Heterocycles > 848845-05-6
848845-05-6 | 10-AZABICYCLO[7.3.1]TRIDECA-1(13),9,11-TRIENE-12-CARBONITRILE
CAS No: 848845-05-6 Catalog No: AG004QEH MDL No:
Product Description
Catalog Number:
AG004QEH
Chemical Name:
10-AZABICYCLO[7.3.1]TRIDECA-1(13),9,11-TRIENE-12-CARBONITRILE
CAS Number:
848845-05-6
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
10-azabicyclo[7.3.1]trideca-1(13),9,11-triene-12-carbonitrile
InChI:
InChI=1S/C13H16N2/c14-9-12-10-15-13-7-5-3-1-2-4-6-11(12)8-13/h8,10H,1-7H2
InChI Key:
LTKVBPJTXIXTLS-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2cc1CCCCCCC2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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