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4093-60-1

4093-60-1 | Butanoic acid,3-[2-(2,4-dinitrophenyl)hydrazinylidene]-, ethyl ester

CAS No: 4093-60-1 Catalog No: AG0073XF MDL No:

Product Description

Catalog Number:
AG0073XF
Chemical Name:
Butanoic acid,3-[2-(2,4-dinitrophenyl)hydrazinylidene]-, ethyl ester
CAS Number:
4093-60-1
Molecular Formula:
C12H14N4O6
Molecular Weight:
310.2628
IUPAC Name:
ethyl 3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
InChI:
InChI=1S/C12H14N4O6/c1-3-22-12(17)6-8(2)13-14-10-5-4-9(15(18)19)7-11(10)16(20)21/h4-5,7,14H,3,6H2,1-2H3
InChI Key:
QQBHYGJZFSQZCQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C

Properties

Complexity:
456  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.091g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.266g/mol
Monoisotopic Mass:
310.091g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.4  

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