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Home > Nitro Compounds > 88903-33-7
88903-33-7 | Heptanal, 2-[(4-nitrophenyl)hydrazono]-6-oxo-
CAS No: 88903-33-7 Catalog No: AG0049O6 MDL No:
Product Description
Catalog Number:
AG0049O6
Chemical Name:
Heptanal, 2-[(4-nitrophenyl)hydrazono]-6-oxo-
CAS Number:
88903-33-7
Molecular Formula:
C13H15N3O4
Molecular Weight:
277.2759
IUPAC Name:
2-[(4-nitrophenyl)hydrazinylidene]-6-oxoheptanal
InChI:
InChI=1S/C13H15N3O4/c1-10(18)3-2-4-12(9-17)15-14-11-5-7-13(8-6-11)16(19)20/h5-9,14H,2-4H2,1H3
InChI Key:
IVKYTBNYXPMBFY-UHFFFAOYSA-N
SMILES:
O=CC(=NNc1ccc(cc1)[N+](=O)[O-])CCCC(=O)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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