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914383-92-9 | 2-Propen-1-one, 3-(2-quinolinyl)-1-(2,3,4-trimethoxyphenyl)-
CAS No: 914383-92-9 Catalog No: AG006AQF MDL No:
Product Description
Catalog Number:
AG006AQF
Chemical Name:
2-Propen-1-one, 3-(2-quinolinyl)-1-(2,3,4-trimethoxyphenyl)-
CAS Number:
914383-92-9
Molecular Formula:
C21H19NO4
Molecular Weight:
349.3799
IUPAC Name:
3-quinolin-2-yl-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C21H19NO4/c1-24-19-13-11-16(20(25-2)21(19)26-3)18(23)12-10-15-9-8-14-6-4-5-7-17(14)22-15/h4-13H,1-3H3
InChI Key:
SDIKHRRSMDXXRV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)OC)C(=O)C=Cc1ccc2c(n1)cccc2
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.386g/mol
Monoisotopic Mass:
349.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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