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168092-69-1 | 1,2,4,5-Benzenetetracarboxylic acid, 1,4-dinonyl ester
CAS No: 168092-69-1 Catalog No: AG001XT3 MDL No:
Product Description
Catalog Number:
AG001XT3
Chemical Name:
1,2,4,5-Benzenetetracarboxylic acid, 1,4-dinonyl ester
CAS Number:
168092-69-1
Molecular Formula:
C28H40O8--
Molecular Weight:
504.6124
IUPAC Name:
2,5-bis(nonoxycarbonyl)terephthalate
InChI:
InChI=1S/C28H42O8/c1-3-5-7-9-11-13-15-17-35-27(33)23-19-22(26(31)32)24(20-21(23)25(29)30)28(34)36-18-16-14-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3,(H,29,30)(H,31,32)/p-2
InChI Key:
VWXQIYOGWQVCMF-UHFFFAOYSA-L
SMILES:
CCCCCCCCCOC(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)OCCCCCCCCC
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.272g/mol
Formal Charge:
-2
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.62g/mol
Monoisotopic Mass:
504.272g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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