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77620-02-1 | 1(3H)-Isobenzofuranone, 3-(1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
CAS No: 77620-02-1 Catalog No: AG0058T0 MDL No:
Product Description
Catalog Number:
AG0058T0
Chemical Name:
1(3H)-Isobenzofuranone, 3-(1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
CAS Number:
77620-02-1
Molecular Formula:
C18H11NO4
Molecular Weight:
305.2842
IUPAC Name:
3-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C18H11NO4/c20-18-12-4-2-1-3-11(12)17(23-18)16-13-8-15-14(21-9-22-15)7-10(13)5-6-19-16/h1-8,17H,9H2
InChI Key:
OQOLVKNOOFQCKZ-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)c1nccc2c1cc1OCOc1c2
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.069g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.289g/mol
Monoisotopic Mass:
305.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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