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914383-84-9 | 2-Propen-1-one, 1-(2,6-dimethoxyphenyl)-3-(4-quinolinyl)-
CAS No: 914383-84-9 Catalog No: AG006MBQ MDL No:
Product Description
Catalog Number:
AG006MBQ
Chemical Name:
2-Propen-1-one, 1-(2,6-dimethoxyphenyl)-3-(4-quinolinyl)-
CAS Number:
914383-84-9
Molecular Formula:
C20H17NO3
Molecular Weight:
319.3539
IUPAC Name:
1-(2,6-dimethoxyphenyl)-3-quinolin-4-ylprop-2-en-1-one
InChI:
InChI=1S/C20H17NO3/c1-23-18-8-5-9-19(24-2)20(18)17(22)11-10-14-12-13-21-16-7-4-3-6-15(14)16/h3-13H,1-2H3
InChI Key:
UUOOQRQMXKMRAR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)C=Cc1ccnc2c1cccc2)OC
Properties
Complexity:
438
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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