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610-27-5 | 4-Nitrophthalic acid
CAS No: 610-27-5 Catalog No: AG0037EI MDL No:MFCD00007252
Product Description
Catalog Number:
AG0037EI
Chemical Name:
4-Nitrophthalic acid
CAS Number:
610-27-5
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
MDL Number:
MFCD00007252
IUPAC Name:
4-nitrophthalic acid
InChI:
InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
SLBQXWXKPNIVSQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]
EC Number:
210-215-3
NSC Number:
5395
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:
0.9
Literature
| Title | Journal |
|---|---|
| Bis(μ-2-carb-oxy-5-nitro-benzoato-κO:O)bis-[(2,2'-bipyridine-κN:N')chloridocopper(II)] dihydrate. | Acta crystallographica. Section E, Structure reports online 20120201 |
| A 2D homochiral inorganic-organic framework exhibiting a spin-flop transition. | Dalton transactions (Cambridge, England : 2003) 20110721 |
| Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid. | Acta crystallographica. Section C, Crystal structure communications 20110701 |
| 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 |
| Aqua-(4-nitro-phthalato)bis-[2-(1H-pyrazol-3-yl)pyridine]-zinc(II) hemihydrate. | Acta crystallographica. Section E, Structure reports online 20110101 |
| Poly[diaqua-μ(3)-4-nitro-phthalato-copper(II)]. | Acta crystallographica. Section E, Structure reports online 20110101 |
| An immunoassay for dibutyl phthalate based on direct hapten linkage to the polystyrene surface of microtiter plates. | PloS one 20110101 |
| Aqua-(4-nitro-phthalato-κO)bis-[2-(1H-pyrazol-3-yl-κN)pyridine-κN]-mangan-ese(II) hemihydrate. | Acta crystallographica. Section E, Structure reports online 20101201 |
| Bis(μ-4-nitro-phthalato)bis-[diaqua-(1,10-phenanthroline)manganese(II)]. | Acta crystallographica. Section E, Structure reports online 20090801 |
| Tyrammonium 4-nitrophthalate dihydrate: structural and spectroscopic elucidation. | Amino acids 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 |
| Poly[[triaquazinc(II)]-mu(3)-4-nitrophthalato-kappa3O1:O2:O2']. | Acta crystallographica. Section C, Crystal structure communications 20071201 |
| [Study of dicyclohexyl phthalate on preparation and characterization of artificial antigen]. | Wei sheng yan jiu = Journal of hygiene research 20060901 |
| Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-X-C6H4NH3+.C8H4NO6- (X = H, Cl, Br and I). | Acta crystallographica. Section C, Crystal structure communications 20050501 |
| 1-Methylpiperazine-1,4-diium 4-nitrophthalate(2-) 4-nitrophthalic acid monohydrate. | Acta crystallographica. Section C, Crystal structure communications 20040901 |
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