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126989-14-8 | 2,2,4,4-Pentanetetracarboxylic acid, 3-(4-nitrophenyl)-, 1,2,4,4-tetraethyl ester
CAS No: 126989-14-8 Catalog No: AG000WIA MDL No:
Product Description
Catalog Number:
AG000WIA
Chemical Name:
2,2,4,4-Pentanetetracarboxylic acid, 3-(4-nitrophenyl)-, 1,2,4,4-tetraethyl ester
CAS Number:
126989-14-8
Molecular Formula:
C21H27NO10
Molecular Weight:
453.4398
IUPAC Name:
tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate
InChI:
InChI=1S/C21H27NO10/c1-5-29-18(23)16(19(24)30-6-2)15(13-9-11-14(12-10-13)22(27)28)17(20(25)31-7-3)21(26)32-8-4/h9-12,15-17H,5-8H2,1-4H3
InChI Key:
SGYUBTVCLVPOCT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(C(=O)OCC)C(=O)OCC)c1ccc(cc1)[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.163g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.444g/mol
Monoisotopic Mass:
453.163g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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