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69985-39-3 | 2H-1,4-Ethanoquinoline-6-carbonitrile, 3,4-dihydro-
CAS No: 69985-39-3 Catalog No: AG005GL0 MDL No:
Product Description
Catalog Number:
AG005GL0
Chemical Name:
2H-1,4-Ethanoquinoline-6-carbonitrile, 3,4-dihydro-
CAS Number:
69985-39-3
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
1-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
InChI:
InChI=1S/C12H12N2/c13-8-9-1-2-12-11(7-9)10-3-5-14(12)6-4-10/h1-2,7,10H,3-6H2
InChI Key:
UHUAVKWJMHOZQF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C1CCN2CC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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