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87922-29-0 | 12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,2,3-dimethoxy-6-methyl-, chloride (1:1)
CAS No: 87922-29-0 Catalog No: AG008C0C MDL No:
Product Description
Catalog Number:
AG008C0C
Chemical Name:
12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,2,3-dimethoxy-6-methyl-, chloride (1:1)
CAS Number:
87922-29-0
Molecular Formula:
C20H19NO4
Molecular Weight:
337.3692
IUPAC Name:
15,16-dimethoxy-20-methyl-5,7-dioxa-20-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17,19-octaene;chloride
InChI:
InChI=1S/C20H18NO4.ClH/c1-21-9-12-6-16(22-2)17(23-3)7-13(12)15-4-11-5-18-19(25-10-24-18)8-14(11)20(15)21;/h5-9H,4,10H2,1-3H3;1H/q+1;/p-1
InChI Key:
BFZNOMQGLXPLSG-UHFFFAOYSA-M
SMILES:
COc1cc2CN(C)C3=C(c2cc1OC)Cc1c3cc2c(c1)OCO2
NSC Number:
339330
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.817g/mol
Monoisotopic Mass:
371.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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