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Home > Indoles and Oxindole > 114476-08-3
114476-08-3 | Azonino[5,4-b]indole-3(2H)-carbonitrile, 1,4,5,8-tetrahydro-
CAS No: 114476-08-3 Catalog No: AG000EHD MDL No:
Product Description
Catalog Number:
AG000EHD
Chemical Name:
Azonino[5,4-b]indole-3(2H)-carbonitrile, 1,4,5,8-tetrahydro-
CAS Number:
114476-08-3
Molecular Formula:
C15H15N3
Molecular Weight:
237.2997
IUPAC Name:
2,4,5,8-tetrahydro-1H-azonino[5,4-b]indole-3-carbonitrile
InChI:
InChI=1S/C15H15N3/c16-11-18-9-4-3-7-15-13(8-10-18)12-5-1-2-6-14(12)17-15/h1-3,5-7,17H,4,8-10H2
InChI Key:
KFCLSJPFYWMCAS-UHFFFAOYSA-N
SMILES:
N#CN1CCC=Cc2c(CC1)c1ccccc1[nH]2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.306g/mol
Monoisotopic Mass:
237.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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