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914383-81-6 | 2-Propen-1-one, 1-(2,5-dimethoxyphenyl)-3-(4-quinolinyl)-
CAS No: 914383-81-6 Catalog No: AG006AQH MDL No:
Product Description
Catalog Number:
AG006AQH
Chemical Name:
2-Propen-1-one, 1-(2,5-dimethoxyphenyl)-3-(4-quinolinyl)-
CAS Number:
914383-81-6
Molecular Formula:
C20H17NO3
Molecular Weight:
319.3539
IUPAC Name:
1-(2,5-dimethoxyphenyl)-3-quinolin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C20H17NO3/c1-23-15-8-10-20(24-2)17(13-15)19(22)9-7-14-11-12-21-18-6-4-3-5-16(14)18/h3-13H,1-2H3
InChI Key:
ANERLBDHRJDMKL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)C=Cc1ccnc2c1cccc2)OC
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.36g/mol
Monoisotopic Mass:
319.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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