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71527-68-9

71527-68-9 | Ethanedioic acid, bis[2,4-dinitro-6-[(pentyloxy)carbonyl]phenyl] ester

CAS No: 71527-68-9 Catalog No: AG005SYU MDL No:

Product Description

Catalog Number:
AG005SYU
Chemical Name:
Ethanedioic acid, bis[2,4-dinitro-6-[(pentyloxy)carbonyl]phenyl] ester
CAS Number:
71527-68-9
Molecular Formula:
C26H26N4O16
Molecular Weight:
650.5018
IUPAC Name:
bis(2,4-dinitro-6-pentoxycarbonylphenyl) oxalate
InChI:
InChI=1S/C26H26N4O16/c1-3-5-7-9-43-23(31)17-11-15(27(35)36)13-19(29(39)40)21(17)45-25(33)26(34)46-22-18(24(32)44-10-8-6-4-2)12-16(28(37)38)14-20(22)30(41)42/h11-14H,3-10H2,1-2H3
InChI Key:
PQZXOSUUUSJQJZ-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1cc(cc(c1OC(=O)C(=O)Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCCC)[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.134g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
650.506g/mol
Monoisotopic Mass:
650.134g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
289A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

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