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19843-03-9 | 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7-dihydro-10,11-dimethoxy-7-methyl- (9CI)
CAS No: 19843-03-9 Catalog No: AG002BIL MDL No:
Product Description
Catalog Number:
AG002BIL
Chemical Name:
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7-dihydro-10,11-dimethoxy-7-methyl- (9CI)
CAS Number:
19843-03-9
Molecular Formula:
C20H19NO4
Molecular Weight:
337.3692
IUPAC Name:
16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),7,12(20),13,15,17-heptaene
InChI:
InChI=1S/C20H19NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h6-9H,4-5,10H2,1-3H3
InChI Key:
HIZKFQOZVOUKDP-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)cc1c3c2c2OCOc2cc3CCN1C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.375g/mol
Monoisotopic Mass:
337.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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