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Home > Nitro Compounds > 603-11-2
603-11-2 | 3-Nitrophthalic acid
CAS No: 603-11-2 Catalog No: AG003JTS MDL No:MFCD00007138
Product Description
Catalog Number:
AG003JTS
Chemical Name:
3-Nitrophthalic acid
CAS Number:
603-11-2
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
MDL Number:
MFCD00007138
IUPAC Name:
3-nitrophthalic acid
InChI:
InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
KFIRODWJCYBBHY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(=O)O)[N+](=O)[O-]
EC Number:
210-030-8
NSC Number:
3120
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.129g/mol
Monoisotopic Mass:
211.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
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|---|---|
| Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality. | Dalton transactions (Cambridge, England : 2003) 20120828 |
| catena-Poly[[bis-(1-methyl-1H-imidazole-κN)zinc]-μ-3-nitro-phthalato-κO:O]. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Bis(μ-3-nitro-phthalato-κO:O)bis-[(thio-urea-κS)zinc] dihydrate. | Acta crystallographica. Section E, Structure reports online 20120301 |
| catena-Poly[[(2,2'-bipyridine-κN,N')cadmium]-μ(3)-4-nitro-phthalato-κO:O',O'':O''']. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Poly[μ(2)-aqua-diaqua-(μ(8)-3-nitro-benzene-1,2-dicarboxylato)(μ(6)-3-nitro-benzene-1,2-dicarboxylato)tetra-sodium]. | Acta crystallographica. Section E, Structure reports online 20101201 |
| Bis(μ-3-nitro-phthalato-κO:O)bis-[aqua-(2,2'-bipyridine-κN,N')copper(II)] dihydrate. | Acta crystallographica. Section E, Structure reports online 20101101 |
| 4,4'-Bipyridine-3-nitro-benzoic acid (1/2). | Acta crystallographica. Section E, Structure reports online 20100301 |
| Poly[[diaqua(mu3-3-nitrophthalato)calcium(II)] monohydrate]. | Acta crystallographica. Section C, Crystal structure communications 20091001 |
| [Spectroscopy and thermostability of series rare-earth complexes with 3-nitrophthalic acid]. | Guang pu xue yu guang pu fen xi = Guang pu 20091001 |
| (μ-4,4'-Bipyridine-κN:N')bis-[triaqua-(4,4'-bipyridine-κN)(3-nitro-phthalato-κO)cobalt(II)]. | Acta crystallographica. Section E, Structure reports online 20090801 |
| A 3,5-dinitro-benzoyl derivative of a stereoisomer of glycerol menthonide. | Acta crystallographica. Section E, Structure reports online 20090701 |
| Poly[[di-mu-aqua-tetraaquadi-mu-hydroxido-bis(mu3-3-nitrophthalato)tricopper(II)] dihydrate]. | Acta crystallographica. Section C, Crystal structure communications 20090101 |
| The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids. | Acta crystallographica. Section C, Crystal structure communications 20080301 |
| 3-iodoanilinium 2-carboxy-6-nitrobenzoate: a three-dimensional framework built from O-H...O and N-H...O hydrogen bonds and a two-centre iodo-nitro interaction. | Acta crystallographica. Section C, Crystal structure communications 20050401 |
| 4-iodoanilinium 3-nitrophthalate(1-): tripartite sheets built from O-H...O and N-H...O hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20030901 |
| Fate of isoxaben in a containerized plant rhizosphere system. | Chemosphere 20030301 |
| 3-nitrophthalic acid: C(4) and R(2)(2)(8) motifs of O-H...O hydrogen bonds generate sheets which are linked by C-H...O hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20030301 |
| Degradation of isoxaben in soils and an aqueous system. | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20011101 |
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