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Home > Nitro Compounds > 88903-35-9
88903-35-9 | Hexanal, 2-[(4-nitrophenyl)hydrazono]-5-oxo-
CAS No: 88903-35-9 Catalog No: AG0049O5 MDL No:
Product Description
Catalog Number:
AG0049O5
Chemical Name:
Hexanal, 2-[(4-nitrophenyl)hydrazono]-5-oxo-
CAS Number:
88903-35-9
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
IUPAC Name:
2-[(4-nitrophenyl)hydrazinylidene]-5-oxohexanal
InChI:
InChI=1S/C12H13N3O4/c1-9(17)2-3-11(8-16)14-13-10-4-6-12(7-5-10)15(18)19/h4-8,13H,2-3H2,1H3
InChI Key:
ULBPSEBMRKDWDX-UHFFFAOYSA-N
SMILES:
O=CC(=NNc1ccc(cc1)[N+](=O)[O-])CCC(=O)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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