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914383-85-0 | 2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-3-(3-quinolinyl)-
CAS No: 914383-85-0 Catalog No: AG006MBP MDL No:
Product Description
Catalog Number:
AG006MBP
Chemical Name:
2-Propen-1-one, 1-(3,4-dimethoxyphenyl)-3-(3-quinolinyl)-
CAS Number:
914383-85-0
Molecular Formula:
C20H17NO3
Molecular Weight:
319.3539
IUPAC Name:
1-(3,4-dimethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
InChI:
InChI=1S/C20H17NO3/c1-23-19-10-8-16(12-20(19)24-2)18(22)9-7-14-11-15-5-3-4-6-17(15)21-13-14/h3-13H,1-2H3
InChI Key:
LPZZPMRTMCHFMC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)C=Cc1cnc2c(c1)cccc2
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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