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168847-28-7 | 2,6,11-Triphenylenetriol, 3,7,10-tris(pentyloxy)-
CAS No: 168847-28-7 Catalog No: AG001YC7 MDL No:
Product Description
Catalog Number:
AG001YC7
Chemical Name:
2,6,11-Triphenylenetriol, 3,7,10-tris(pentyloxy)-
CAS Number:
168847-28-7
Molecular Formula:
C33H42O6
Molecular Weight:
534.6830
IUPAC Name:
3,7,10-tripentoxytriphenylene-2,6,11-triol
InChI:
InChI=1S/C33H42O6/c1-4-7-10-13-37-31-19-25-22(16-28(31)34)23-17-29(35)32(38-14-11-8-5-2)20-26(23)27-21-33(30(36)18-24(25)27)39-15-12-9-6-3/h16-21,34-36H,4-15H2,1-3H3
InChI Key:
QEHRUZPTJZXJKN-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc2c(cc1O)c1cc(OCCCCC)c(cc1c1c2cc(OCCCCC)c(c1)O)O
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.298g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
534.693g/mol
Monoisotopic Mass:
534.298g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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