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Nitroterephthalic acid

CAS No.:
610-29-7
Catalog Number:
AG0037EH
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$57
- +
100g
95%
In Stock USA
United States
$142
- +
Product Description
Catalog Number:
AG0037EH
Chemical Name:
Nitroterephthalic acid
CAS Number:
610-29-7
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
MDL Number:
MFCD00007141
IUPAC Name:
2-nitroterephthalic acid
InChI:
InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChI Key:
QUMITRDILMWWBC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)O)C(=O)O
EC Number:
210-217-4
NSC Number:
75848
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:
1  
Literature
Title Journal
Three-dimensional hybrid framework containing U2O13 dimers connected via cation-cation interactions. Inorganic chemistry 20110905
Application of headspace solid-phase microextraction followed by gas chromatography-mass spectrometry to determine short-chain alkane monocarboxylic acids in aqueous samples. Analytical and bioanalytical chemistry 20110301
Application of gas chromatography-mass spectrometry preceded by solvent extraction to determine volatile fatty acids in wastewater of municipal, animal farm and landfill origin. Water science and technology : a journal of the International Association on Water Pollution Research 20110101
Two-step adsorption on jungle-gym-type porous coordination polymers: dependence on hydrogen-bonding capability of adsorbates, ligand-substituent effect, and temperature. Inorganic chemistry 20101101
Poly[[[aqua(2,2'-bipyridine-κN,N')zinc(II)]-μ-2-nitroterephthalato-κO:O] monohydrate]. Acta crystallographica. Section E, Structure reports online 20100801
Poly[[tetraaquabis(mu2-2-nitroterephthalato-kappa(3)O(1):O(4),O(4'))(mu2-piperazine-kappa(3)N:N')dicadmium(II)] dihydrate]. Acta crystallographica. Section C, Crystal structure communications 20081001
catena-Poly[[[triaquazinc(II)]-micro-2-nitroterephthalato-kappaO1:kappa2O4,O4'] monohydrate]. Acta crystallographica. Section C, Crystal structure communications 20070801
Properties