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Home > Nitro Compounds > 2057-91-2
2057-91-2 | 5-Hexen-2-one, 2-(2,4-dinitrophenyl)hydrazone
CAS No: 2057-91-2 Catalog No: AG002AAP MDL No:
Product Description
Catalog Number:
AG002AAP
Chemical Name:
5-Hexen-2-one, 2-(2,4-dinitrophenyl)hydrazone
CAS Number:
2057-91-2
Molecular Formula:
C12H14N4O4
Molecular Weight:
278.2640
IUPAC Name:
N-[(E)-hex-5-en-2-ylideneamino]-2,4-dinitroaniline
InChI:
InChI=1S/C12H14N4O4/c1-3-4-5-9(2)13-14-11-7-6-10(15(17)18)8-12(11)16(19)20/h3,6-8,14H,1,4-5H2,2H3/b13-9+
InChI Key:
GPQMLCSRONPNAG-UKTHLTGXSA-N
SMILES:
C=CCCC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
NSC Number:
126527
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
278.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.268g/mol
Monoisotopic Mass:
278.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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