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656234-38-7 | 1(2H)-Isoquinolinone, 4-(1,3-benzodioxol-5-yl)-5-hydroxy-
CAS No: 656234-38-7 Catalog No: AG006QIL MDL No:
Product Description
Catalog Number:
AG006QIL
Chemical Name:
1(2H)-Isoquinolinone, 4-(1,3-benzodioxol-5-yl)-5-hydroxy-
CAS Number:
656234-38-7
Molecular Formula:
C16H11NO4
Molecular Weight:
281.2628
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-5-hydroxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H11NO4/c18-12-3-1-2-10-15(12)11(7-17-16(10)19)9-4-5-13-14(6-9)21-8-20-13/h1-7,18H,8H2,(H,17,19)
InChI Key:
ZPIHPQFEEIPBFO-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(c[nH]c2=O)c1ccc2c(c1)OCO2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.267g/mol
Monoisotopic Mass:
281.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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