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831235-69-9 | Quinoline, 4,4'-(1,3-butadiyne-1,4-diyl)bis-
CAS No: 831235-69-9 Catalog No: AG008JHJ MDL No:
Product Description
Catalog Number:
AG008JHJ
Chemical Name:
Quinoline, 4,4'-(1,3-butadiyne-1,4-diyl)bis-
CAS Number:
831235-69-9
Molecular Formula:
C22H12N2
Molecular Weight:
304.3441
IUPAC Name:
4-(4-quinolin-4-ylbuta-1,3-diynyl)quinoline
InChI:
InChI=1S/C22H12N2/c1(7-17-13-15-23-21-11-5-3-9-19(17)21)2-8-18-14-16-24-22-12-6-4-10-20(18)22/h3-6,9-16H
InChI Key:
ZRFKNNJXUFNRQM-UHFFFAOYSA-N
SMILES:
C(#Cc1ccnc2c1cccc2)C#Cc1ccnc2c1cccc2
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.352g/mol
Monoisotopic Mass:
304.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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