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96705-56-5 | 11H-Indeno(1,2-c)isoquinolinium, 9-hydroxy-6-methyl-2,3,8-trimethoxy-, chloride
CAS No: 96705-56-5 Catalog No: AG0066E1 MDL No:
Product Description
Catalog Number:
AG0066E1
Chemical Name:
11H-Indeno(1,2-c)isoquinolinium, 9-hydroxy-6-methyl-2,3,8-trimethoxy-, chloride
CAS Number:
96705-56-5
Molecular Formula:
C20H20ClNO4
Molecular Weight:
373.8301
IUPAC Name:
2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-ol;chloride
InChI:
InChI=1S/C20H19NO4.ClH/c1-21-10-12-7-18(24-3)19(25-4)8-13(12)15-5-11-6-16(22)17(23-2)9-14(11)20(15)21;/h6-10H,5H2,1-4H3;1H
InChI Key:
HTBVZYVJIWBTRF-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)c[n+](c1c2Cc2c1cc(c(c2)O)OC)C.[Cl-]
NSC Number:
355457
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.108g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.833g/mol
Monoisotopic Mass:
373.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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