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821004-08-4 | 4(1H)-Quinolinone, 3-(4-methoxybenzoyl)-
CAS No: 821004-08-4 Catalog No: AG004WIU MDL No:
Product Description
Catalog Number:
AG004WIU
Chemical Name:
4(1H)-Quinolinone, 3-(4-methoxybenzoyl)-
CAS Number:
821004-08-4
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
3-(4-methoxybenzoyl)-1H-quinolin-4-one
InChI:
InChI=1S/C17H13NO3/c1-21-12-8-6-11(7-9-12)16(19)14-10-18-15-5-3-2-4-13(15)17(14)20/h2-10H,1H3,(H,18,20)
InChI Key:
IGJKLOLUNGEJDE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1c[nH]c2c(c1=O)cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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