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89262-97-5 | Butanoic acid, 3-[(2,4-dinitrophenyl)hydrazono]-, methyl ester
CAS No: 89262-97-5 Catalog No: AG0041GT MDL No:
Product Description
Catalog Number:
AG0041GT
Chemical Name:
Butanoic acid, 3-[(2,4-dinitrophenyl)hydrazono]-, methyl ester
CAS Number:
89262-97-5
Molecular Formula:
C11H12N4O6
Molecular Weight:
296.2362
IUPAC Name:
methyl 3-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
InChI:
InChI=1S/C11H12N4O6/c1-7(5-11(16)21-2)12-13-9-4-3-8(14(17)18)6-10(9)15(19)20/h3-4,6,13H,5H2,1-2H3
InChI Key:
HOGCSKSRSMNGMR-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.076g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.239g/mol
Monoisotopic Mass:
296.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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