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38691-93-9 | Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10,13-trimethoxy-
CAS No: 38691-93-9 Catalog No: AG0078M1 MDL No:
Product Description
Catalog Number:
AG0078M1
Chemical Name:
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10,13-trimethoxy-
CAS Number:
38691-93-9
Molecular Formula:
C21H20NO5+
Molecular Weight:
366.3872
IUPAC Name:
16,17,21-trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
InChI:
InChI=1S/C21H20NO5/c1-23-16-5-4-13-15(20(16)24-2)10-22-7-6-12-8-17-18(27-11-26-17)9-14(12)19(22)21(13)25-3/h4-5,8-10H,6-7,11H2,1-3H3/q+1
InChI Key:
MLENXYPZCCNDEL-UHFFFAOYSA-N
SMILES:
COc1c2[n+](CCc3c2cc2OCOc2c3)cc2c1ccc(c2OC)OC
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.134g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.393g/mol
Monoisotopic Mass:
366.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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