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Home > Nitro Compounds > 96-97-9
96-97-9 | 2-Hydroxy-5-nitrobenzoic acid
CAS No: 96-97-9 Catalog No: AG003MXI MDL No:MFCD00007338
Product Description
Catalog Number:
AG003MXI
Chemical Name:
2-Hydroxy-5-nitrobenzoic acid
CAS Number:
96-97-9
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
MDL Number:
MFCD00007338
IUPAC Name:
2-hydroxy-5-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChI Key:
PPDRLQLKHRZIJC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)O)O
EC Number:
202-548-8
UNII:
82L9G7FYZ3
NSC Number:
183
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.119g/mol
Monoisotopic Mass:
183.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Identification and relative-quantification of glycans by matrix-assisted laser desorption/ionization in-source decay with hydrogen abstraction. | Analytical chemistry 20120904 |
| Structure-activity relationship of salicylic acid derivatives on inhibition of TNF-α dependent NFκB activity: Implication on anti-inflammatory effect of N-(5-chlorosalicyloyl)phenethylamine against experimental colitis. | European journal of medicinal chemistry 20120201 |
| Mass spectrometric characterization of phosphorylated peptides using MALDI in-source decay via redox reactions. | Journal of mass spectrometry : JMS 20120201 |
| Poly[aqua-(μ(3)-2-hy-droxy-5-nitro-benzoato-κO:O:O)rubidium]. | Acta crystallographica. Section E, Structure reports online 20111001 |
| Specific cleavage at peptide backbone Cα-C and CO-N bonds during matrix-assisted laser desorption/ionization in-source decay mass spectrometry with 5-nitrosalicylic acid as the matrix. | Rapid communications in mass spectrometry : RCM 20110915 |
| 2,2,6,6-Tetra-methyl-4-oxopiperidin-1-ium 4-chloro-3-nitro-benzoate. | Acta crystallographica. Section E, Structure reports online 20110801 |
| Cα-C bond cleavage of the peptide backbone in MALDI in-source decay using salicylic acid derivative matrices. | Journal of the American Society for Mass Spectrometry 20110701 |
| 4-Carbamoylpiperidinium 5-nitro-salicylate. | Acta crystallographica. Section E, Structure reports online 20110101 |
| 4-(4-Nitro-benz-yl)pyridinium 5-nitro-salicylate. | Acta crystallographica. Section E, Structure reports online 20100501 |
| Bis(μ-5-nitro-2-oxidobenzoato)bis-[triaqua-zinc(II)]. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Bis[2-(ethoxy-carbonyl-amino)ethan-aminium] hexa-bromidostannate. | Acta crystallographica. Section E, Structure reports online 20091201 |
| 2-All-yloxy-5-nitro-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20090701 |
| Kinetic and safety assessment for salicylic acid nitration by nitric acid/acetic acid system. | Journal of hazardous materials 20060630 |
| Guest-controlling effects on ER behaviors of beta-cyclodextrin polymer. | Journal of colloid and interface science 20050901 |
| The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct. | Acta crystallographica. Section C, Crystal structure communications 20050701 |
| Equilibrium studies on chromium(III) complexes of salicylic acid and salicylic acid derivatives in aqueous solution. | Chemical & pharmaceutical bulletin 20041101 |
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