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2859-98-5 | Quinoline, 4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS No: 2859-98-5 Catalog No: AG002VRL MDL No:
Product Description
Catalog Number:
AG002VRL
Chemical Name:
Quinoline, 4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-
CAS Number:
2859-98-5
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
IUPAC Name:
4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
InChI:
InChI=1S/C20H19NO3/c1-22-18-12-14(13-19(23-2)20(18)24-3)8-9-15-10-11-21-17-7-5-4-6-16(15)17/h4-13H,1-3H3/b9-8+
InChI Key:
PAZAXHPAPRUCGE-CMDGGOBGSA-N
SMILES:
COc1cc(C=Cc2ccnc3c2cccc3)cc(c1OC)OC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
321.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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