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Home > Indoles and Oxindole > 96318-64-8
96318-64-8 | 1,1,2,2-Butanetetracarbonitrile, 4-(1H-indol-1-yl)-4-methoxy-
CAS No: 96318-64-8 Catalog No: AG0067TI MDL No:
Product Description
Catalog Number:
AG0067TI
Chemical Name:
1,1,2,2-Butanetetracarbonitrile, 4-(1H-indol-1-yl)-4-methoxy-
CAS Number:
96318-64-8
Molecular Formula:
C17H13N5O
Molecular Weight:
303.3180
IUPAC Name:
4-indol-1-yl-4-methoxybutane-1,1,2,2-tetracarbonitrile
InChI:
InChI=1S/C17H13N5O/c1-23-16(8-17(11-20,12-21)14(9-18)10-19)22-7-6-13-4-2-3-5-15(13)22/h2-7,14,16H,8H2,1H3
InChI Key:
BDRVPPIPOXPBPS-UHFFFAOYSA-N
SMILES:
COC(n1ccc2c1cccc2)CC(C(C#N)C#N)(C#N)C#N
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.112g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.325g/mol
Monoisotopic Mass:
303.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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