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Home > Nitro Compounds > 73591-43-2
73591-43-2 | Pentanedioic acid, 3-[(2,4-dinitrophenyl)hydrazono]-, dimethyl ester
CAS No: 73591-43-2 Catalog No: AG005CO3 MDL No:
Product Description
Catalog Number:
AG005CO3
Chemical Name:
Pentanedioic acid, 3-[(2,4-dinitrophenyl)hydrazono]-, dimethyl ester
CAS Number:
73591-43-2
Molecular Formula:
C13H14N4O8
Molecular Weight:
354.2723
IUPAC Name:
dimethyl 3-[(2,4-dinitrophenyl)hydrazinylidene]pentanedioate
InChI:
InChI=1S/C13H14N4O8/c1-24-12(18)5-8(6-13(19)25-2)14-15-10-4-3-9(16(20)21)7-11(10)17(22)23/h3-4,7,15H,5-6H2,1-2H3
InChI Key:
UVVBHVAACLKBLB-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC(=O)OC
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.081g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.275g/mol
Monoisotopic Mass:
354.081g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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