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109175-37-3 | 7H-Benzo[de][1,3]dioxolo[4,5]benzo[1,2-g]quinolin-7-one,1,2,3-trimethoxy-
CAS No: 109175-37-3 Catalog No: AG0082SQ MDL No:
Product Description
Catalog Number:
AG0082SQ
Chemical Name:
7H-Benzo[de][1,3]dioxolo[4,5]benzo[1,2-g]quinolin-7-one,1,2,3-trimethoxy-
CAS Number:
109175-37-3
Molecular Formula:
C20H15NO6
Molecular Weight:
365.3362
IUPAC Name:
17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,12,14,16(20),17-octaen-11-one
InChI:
InChI=1S/C20H15NO6/c1-23-18-9-4-5-21-16-14(9)15(19(24-2)20(18)25-3)10-6-12-13(27-8-26-12)7-11(10)17(16)22/h4-7H,8H2,1-3H3
InChI Key:
JHBLLXUDHWJZMA-UHFFFAOYSA-N
SMILES:
COc1c2c3cc4OCOc4cc3C(=O)c3c2c(c(c1OC)OC)ccn3
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.09g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.341g/mol
Monoisotopic Mass:
365.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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