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162281-30-3 | Triphenylene, 2,3,6,7-tetrakis(hexyloxy)-
CAS No: 162281-30-3 Catalog No: AG001SYQ MDL No:
Product Description
Catalog Number:
AG001SYQ
Chemical Name:
Triphenylene, 2,3,6,7-tetrakis(hexyloxy)-
CAS Number:
162281-30-3
Molecular Formula:
C42H60O4
Molecular Weight:
628.9234
IUPAC Name:
2,3,6,7-tetrahexoxytriphenylene
InChI:
InChI=1S/C42H60O4/c1-5-9-13-19-25-43-39-29-35-33-23-17-18-24-34(33)36-30-40(44-26-20-14-10-6-2)42(46-28-22-16-12-8-4)32-38(36)37(35)31-41(39)45-27-21-15-11-7-3/h17-18,23-24,29-32H,5-16,19-22,25-28H2,1-4H3
InChI Key:
FOXCXPICCKTKHF-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc2c3cc(OCCCCCC)c(cc3c3c(c2cc1OCCCCCC)cccc3)OCCCCCC
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.449g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
628.938g/mol
Monoisotopic Mass:
628.449g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1
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