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125404-32-2 | 1,2,4-Benzenetricarboxylic acid, tris(6-hydroxyhexyl) ester (9CI)
CAS No: 125404-32-2 Catalog No: AG000NMX MDL No:
Product Description
Catalog Number:
AG000NMX
Chemical Name:
1,2,4-Benzenetricarboxylic acid, tris(6-hydroxyhexyl) ester (9CI)
CAS Number:
125404-32-2
Molecular Formula:
C27H42O9
Molecular Weight:
510.6170
IUPAC Name:
tris(6-hydroxyhexyl) benzene-1,2,4-tricarboxylate
InChI:
InChI=1S/C27H42O9/c28-15-7-1-4-10-18-34-25(31)22-13-14-23(26(32)35-19-11-5-2-8-16-29)24(21-22)27(33)36-20-12-6-3-9-17-30/h13-14,21,28-30H,1-12,15-20H2
InChI Key:
CNRIEBKEVPFUJR-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCO)C(=O)OCCCCCCO
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.283g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
510.624g/mol
Monoisotopic Mass:
510.283g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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