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81023-06-5 | 1-(1,3-DIHYDRO-4,5-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)-6,7-DIMETHOXYCINNOLIN-4(1H)-ONE
CAS No: 81023-06-5 Catalog No: AG0050GV MDL No:
Product Description
Catalog Number:
AG0050GV
Chemical Name:
1-(1,3-DIHYDRO-4,5-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)-6,7-DIMETHOXYCINNOLIN-4(1H)-ONE
CAS Number:
81023-06-5
Molecular Formula:
C20H18N2O7
Molecular Weight:
398.3661
IUPAC Name:
1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6,7-dimethoxycinnolin-4-one
InChI:
InChI=1S/C20H18N2O7/c1-25-14-6-5-10-17(18(14)28-4)20(24)29-19(10)22-12-8-16(27-3)15(26-2)7-11(12)13(23)9-21-22/h5-9,19H,1-4H3
InChI Key:
QDJGFYUBUMSXLS-UHFFFAOYSA-N
SMILES:
COc1cc2c(=O)cnn(c2cc1OC)C1OC(=O)c2c1ccc(c2OC)OC
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.111g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.371g/mol
Monoisotopic Mass:
398.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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