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833488-11-2 | 2-Propen-1-one, 3-(8-hydroxy-5-quinolinyl)-1-(4-methoxyphenyl)-
CAS No: 833488-11-2 Catalog No: AG005568 MDL No:
Product Description
Catalog Number:
AG005568
Chemical Name:
2-Propen-1-one, 3-(8-hydroxy-5-quinolinyl)-1-(4-methoxyphenyl)-
CAS Number:
833488-11-2
Molecular Formula:
C19H15NO3
Molecular Weight:
305.3273
IUPAC Name:
3-(8-hydroxyquinolin-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C19H15NO3/c1-23-15-8-4-14(5-9-15)17(21)10-6-13-7-11-18(22)19-16(13)3-2-12-20-19/h2-12,22H,1H3
InChI Key:
ZNCDAWFSYFJXPV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=Cc1ccc(c2c1cccn2)O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.333g/mol
Monoisotopic Mass:
305.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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