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75491-95-1 | Benzo[a][1,3]benzodioxolo[5,6-g]quinolizinium,5,6-dihydro-3-hydroxy-2-methoxy-, chloride (9CI)
CAS No: 75491-95-1 Catalog No: AG005KOI MDL No:
Product Description
Catalog Number:
AG005KOI
Chemical Name:
Benzo[a][1,3]benzodioxolo[5,6-g]quinolizinium,5,6-dihydro-3-hydroxy-2-methoxy-, chloride (9CI)
CAS Number:
75491-95-1
Molecular Formula:
C19H16ClNO4
Molecular Weight:
357.7876
IUPAC Name:
16-methoxy-6,8-dioxa-1-azoniapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14,16,18-octaen-17-ol;chloride
InChI:
InChI=1S/C19H15NO4.ClH/c1-22-17-8-14-11(5-16(17)21)2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(14)20;/h4-9H,2-3,10H2,1H3;1H
InChI Key:
LYTLUWXUPLTDQF-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1O)CC[n+]1c2cc2cc3OCOc3cc2c1.[Cl-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.79g/mol
Monoisotopic Mass:
357.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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