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Home > Nitro Compounds > 88903-30-4
88903-30-4 | Heptanal, 4,4-dimethyl-2-[(4-nitrophenyl)hydrazono]-6-oxo-
CAS No: 88903-30-4 Catalog No: AG0048WP MDL No:
Product Description
Catalog Number:
AG0048WP
Chemical Name:
Heptanal, 4,4-dimethyl-2-[(4-nitrophenyl)hydrazono]-6-oxo-
CAS Number:
88903-30-4
Molecular Formula:
C15H19N3O4
Molecular Weight:
305.3291
IUPAC Name:
4,4-dimethyl-2-[(4-nitrophenyl)hydrazinylidene]-6-oxoheptanal
InChI:
InChI=1S/C15H19N3O4/c1-11(20)8-15(2,3)9-13(10-19)17-16-12-4-6-14(7-5-12)18(21)22/h4-7,10,16H,8-9H2,1-3H3
InChI Key:
RYHCGVMYJDZEFZ-UHFFFAOYSA-N
SMILES:
O=CC(=NNc1ccc(cc1)[N+](=O)[O-])CC(CC(=O)C)(C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.334g/mol
Monoisotopic Mass:
305.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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