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96318-65-9 | 1,1,2,2-Butanetetracarbonitrile, 4-ethoxy-4-(1H-indol-1-yl)-
CAS No: 96318-65-9 Catalog No: AG005UV1 MDL No:
Product Description
Catalog Number:
AG005UV1
Chemical Name:
1,1,2,2-Butanetetracarbonitrile, 4-ethoxy-4-(1H-indol-1-yl)-
CAS Number:
96318-65-9
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
4-ethoxy-4-indol-1-ylbutane-1,1,2,2-tetracarbonitrile
InChI:
InChI=1S/C18H15N5O/c1-2-24-17(9-18(12-21,13-22)15(10-19)11-20)23-8-7-14-5-3-4-6-16(14)23/h3-8,15,17H,2,9H2,1H3
InChI Key:
YSTPKWBDULNICS-UHFFFAOYSA-N
SMILES:
CCOC(n1ccc2c1cccc2)CC(C(C#N)C#N)(C#N)C#N
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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