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84145-39-1 | 1,4-Benzenedicarboxylicacid, 2,5-bis[(1,3-dioxobutyl)phenylamino]-
CAS No: 84145-39-1 Catalog No: AG004ZIQ MDL No:
Product Description
Catalog Number:
AG004ZIQ
Chemical Name:
1,4-Benzenedicarboxylicacid, 2,5-bis[(1,3-dioxobutyl)phenylamino]-
CAS Number:
84145-39-1
Molecular Formula:
C28H24N2O8
Molecular Weight:
516.4988
IUPAC Name:
2,5-bis[N-(3-oxobutanoyl)anilino]terephthalic acid
InChI:
InChI=1S/C28H24N2O8/c1-17(31)13-25(33)29(19-9-5-3-6-10-19)23-15-22(28(37)38)24(16-21(23)27(35)36)30(26(34)14-18(2)32)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3,(H,35,36)(H,37,38)
InChI Key:
QYFDPGMAQSATNL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1N(c1ccccc1)C(=O)CC(=O)C)C(=O)O)N(c1ccccc1)C(=O)CC(=O)C
EC Number:
282-265-4
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.153g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
516.506g/mol
Monoisotopic Mass:
516.153g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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