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Home > Other Building Blocks > 102737-76-8
102737-76-8 | 2,7-Triphenylenediol, 3,6,10,11-tetrakis(pentyloxy)-
CAS No: 102737-76-8 Catalog No: AG00089S MDL No:
Product Description
Catalog Number:
AG00089S
Chemical Name:
2,7-Triphenylenediol, 3,6,10,11-tetrakis(pentyloxy)-
CAS Number:
102737-76-8
Molecular Formula:
C38H52O6
Molecular Weight:
604.8159
IUPAC Name:
3,6,10,11-tetrapentoxytriphenylene-2,7-diol
InChI:
InChI=1S/C38H52O6/c1-5-9-13-17-41-35-23-29-27(21-33(35)39)31-25-37(43-19-15-11-7-3)38(44-20-16-12-8-4)26-32(31)28-22-34(40)36(24-30(28)29)42-18-14-10-6-2/h21-26,39-40H,5-20H2,1-4H3
InChI Key:
RRXLJTWVCLAAJD-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc2c(cc1O)c1cc(OCCCCC)c(cc1c1c2cc(OCCCCC)c(c1)O)OCCCCC
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
604.376g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
604.828g/mol
Monoisotopic Mass:
604.376g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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