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3011-34-5 | 4-Hydroxy-3-nitrobenzaldehyde
CAS No: 3011-34-5 Catalog No: AG003LI5 MDL No:MFCD00007117
Product Description
Catalog Number:
AG003LI5
Chemical Name:
4-Hydroxy-3-nitrobenzaldehyde
CAS Number:
3011-34-5
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00007117
IUPAC Name:
4-hydroxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
InChI Key:
YTHJCZRFJGXPTL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])O
EC Number:
221-141-6
NSC Number:
138267
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| 3-Chloro-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide methanol disolvate. | Acta crystallographica. Section E, Structure reports online 20110701 |
| 4-Hy-droxy-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20110201 |
| 2-Hy-droxy-N'-(4-hy-droxy-3-nitro-benzyl-idene)benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Aqabamycins A-G: novel nitro maleimides from a marine Vibrio species: II. Structure elucidation. | The Journal of antibiotics 20100601 |
| Aqabamycins A-G: novel nitro maleimides from a marine Vibrio species. I. Taxonomy, fermentation, isolation and biological activities. | The Journal of antibiotics 20100601 |
| (E)-3-Bromo-N'-(4-hydr-oxy-3-nitro-benzyl-idene)benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20090801 |
| (E)-4-(4-Hydr-oxy-3-nitro-benzyl-idene-amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one. | Acta crystallographica. Section E, Structure reports online 20081001 |
| 4-Hydr-oxy-3-nitro-benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20080501 |
| Acid-promoted reaction of the stilbene antioxidant resveratrol with nitrite ions: mild phenolic oxidation at the 4'-hydroxystiryl sector triggering nitration, dimerization, and aldehyde-forming routes. | The Journal of organic chemistry 20060526 |
| Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. | Bioorganic & medicinal chemistry letters 20060201 |
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