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1175-02-6 | 8H-Benz[4,5]indeno[1,2-k]benz[a]anthracene
CAS No: 1175-02-6 Catalog No: AG000EDL MDL No:
Product Description
Catalog Number:
AG000EDL
Chemical Name:
8H-Benz[4,5]indeno[1,2-k]benz[a]anthracene
CAS Number:
1175-02-6
Molecular Formula:
C29H20
Molecular Weight:
368.4691
IUPAC Name:
heptacyclo[15.12.0.01,13.03,12.04,9.019,28.022,27]nonacosa-2,4,6,8,10,12,16,18,20,22,24,26,28-tridecaene
InChI:
InChI=1S/C29H20/c1-3-9-23-19(6-1)12-13-21-16-22-8-5-11-28-25-15-14-20-7-2-4-10-24(20)27(25)18-29(22,28)17-26(21)23/h1-4,6-10,12-18H,5,11H2
InChI Key:
OLBPNCJDNPNQIX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ccc1=C3C4(C=c21)C=c1c(=CC4=CCC3)ccc2c1cccc2
Properties
Complexity:
987
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.157g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.479g/mol
Monoisotopic Mass:
368.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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