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190-60-3 | Benz[3,4]anthra[2,1,9,8-opqra]indeno[1,2,3-fg]naphthacene (6CI,8CI,9CI)
CAS No: 190-60-3 Catalog No: AG002E83 MDL No:
Product Description
Catalog Number:
AG002E83
Chemical Name:
Benz[3,4]anthra[2,1,9,8-opqra]indeno[1,2,3-fg]naphthacene (6CI,8CI,9CI)
CAS Number:
190-60-3
Molecular Formula:
C36H18
Molecular Weight:
450.5281
IUPAC Name:
decacyclo[26.7.1.02,26.03,19.04,12.05,35.06,11.013,18.020,25.032,36]hexatriaconta-1,3(19),4(12),5(35),6,8,10,13,15,17,20,22,24,26,28,30,32(36),33-octadecaene
InChI:
InChI=1S/C36H18/c1-2-11-22-21(10-1)28-18-20-9-7-8-19-16-17-27-32-26-15-6-5-14-25(26)31-24-13-4-3-12-23(24)30(22)36(35(31)32)34(28)33(27)29(19)20/h1-18H
InChI Key:
CFUJBWDSHPIIKM-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1c3ccc4c5c3c3c6c1c2c1ccccc1c6c1c(c3cc5ccc4)cccc1
Properties
Complexity:
889
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.141g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.54g/mol
Monoisotopic Mass:
450.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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