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1586-50-1 | Quinoline, 4-[2-(3-pyridinyl)ethenyl]-
CAS No: 1586-50-1 Catalog No: AG001QBX MDL No:
Product Description
Catalog Number:
AG001QBX
Chemical Name:
Quinoline, 4-[2-(3-pyridinyl)ethenyl]-
CAS Number:
1586-50-1
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
4-[(E)-2-pyridin-3-ylethenyl]quinoline
InChI:
InChI=1S/C16H12N2/c1-2-6-16-15(5-1)14(9-11-18-16)8-7-13-4-3-10-17-12-13/h1-12H/b8-7+
InChI Key:
YWFGPIWOFHMULO-BQYQJAHWSA-N
SMILES:
c1ccc(cn1)C=Cc1ccnc2c1cccc2
NSC Number:
86743
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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