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769972-66-9 | 4(1H)-Quinolinone, 3-(1,3-benzodioxol-5-ylcarbonyl)-
CAS No: 769972-66-9 Catalog No: AG005781 MDL No:
Product Description
Catalog Number:
AG005781
Chemical Name:
4(1H)-Quinolinone, 3-(1,3-benzodioxol-5-ylcarbonyl)-
CAS Number:
769972-66-9
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
IUPAC Name:
3-(1,3-benzodioxole-5-carbonyl)-1H-quinolin-4-one
InChI:
InChI=1S/C17H11NO4/c19-16(10-5-6-14-15(7-10)22-9-21-14)12-8-18-13-4-2-1-3-11(13)17(12)20/h1-8H,9H2,(H,18,20)
InChI Key:
RMALFDRACTXTFR-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c(c1=O)cccc2)c1ccc2c(c1)OCO2
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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