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189-45-7 | Naphthaceno[2,1,12-qra]naphthacene
CAS No: 189-45-7 Catalog No: AG002HOR MDL No:
Product Description
Catalog Number:
AG002HOR
Chemical Name:
Naphthaceno[2,1,12-qra]naphthacene
CAS Number:
189-45-7
Molecular Formula:
C32H18
Molecular Weight:
402.4853
IUPAC Name:
octacyclo[14.14.2.02,11.04,9.013,31.017,26.019,24.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27,29-hexadecaene
InChI:
InChI=1S/C32H18/c1-3-7-21-17-29-25(13-19(21)5-1)15-23-9-12-28-30-18-22-8-4-2-6-20(22)14-26(30)16-24-10-11-27(29)31(23)32(24)28/h1-18H
InChI Key:
BTOIWQMCXHYGGB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)cc2c3c1ccc1c3c(cc2)c2c(c1)cc1c(c2)cccc1
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.141g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.496g/mol
Monoisotopic Mass:
402.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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