Name: Name:5-Nitro-1,2,3-benzenetricarboxylic acid
Brand: Angene
SKU: AG003MWP
Rating: 90 (10 reviews)

5-Nitro-1,2,3-benzenetricarboxylic acid

CAS No.:

3807-81-6

Catalog Number:

AG003MWP

Molecular Formula:

C9H5NO8

Molecular Weight:

255.1379

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Purity

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Product Description

Catalog Number:

AG003MWP

Chemical Name:

5-Nitro-1,2,3-benzenetricarboxylic acid

CAS Number:

3807-81-6

Molecular Formula:

C9H5NO8

Molecular Weight:

255.1379

MDL Number:

MFCD03839939

IUPAC Name:

5-nitrobenzene-1,2,3-tricarboxylic acid

InChI:

InChI=1S/C9H5NO8/c11-7(12)4-1-3(10(17)18)2-5(8(13)14)6(4)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)

InChI Key:

KIRNHRJGEAFKPM-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(cc(c1C(=O)O)C(=O)O)[N+](=O)[O-]

Properties

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.138g/mol

Monoisotopic Mass:

255.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

158A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
catena-Poly[hexaaquamagnesium(II) [bis(μ3-5-nitro-2-oxidoisophthalato)dicopper(II)] dihydrate].	Acta crystallographica. Section C, Crystal structure communications 20110401
Multi-dimensional transition-metal coordination polymers with 5-nitro-1,2,3-benzenetricarboxylic acid exhibiting ferro-/antiferromagnetic interactions.	Dalton transactions (Cambridge, England : 2003) 20100921
catena-Poly[[[aqua-(5-nitro-benzene-1,2,3-tricarboxyl-ato-κO)nickel(II)]-di-μ-aqua-[diaqua-sodium]-di-μ-aqua] tetra-hydrate].	Acta crystallographica. Section E, Structure reports online 20100301
catena-Poly[[[aqua-(5-nitro-benzene-1,2,3-tricarboxyl-ato-κO)copper(II)]-di-μ-aqua-[diaqua-sodium]-di-μ-aqua] tetra-hydrate].	Acta crystallographica. Section E, Structure reports online 20100201

Properties