CAS 4315-09-7 | 4-Nitroisophthalic acid | CAS Number 4315-09-7

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4315-09-7 | 4-Nitroisophthalic acid

CAS No: 4315-09-7 Catalog No: AG003LVI MDL No:MFCD00096224

Product Description

Catalog Number:

AG003LVI

Chemical Name:

4-Nitroisophthalic acid

CAS Number:

4315-09-7

Molecular Formula:

C8H5NO6

Molecular Weight:

211.1284

MDL Number:

MFCD00096224

IUPAC Name:

4-nitrobenzene-1,3-dicarboxylic acid

InChI:

InChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChI Key:

OCJFXVHDIVAONP-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1N(=O)=O)C(=O)O

EC Number:

610-110-6

Properties

Complexity:

296

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.129g/mol

Monoisotopic Mass:

211.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
4-Nitro-isophthalic acid.	Acta crystallographica. Section E, Structure reports online 20120101
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
A novel two-dimensional layered framework built of strontium(II) with 4-nitrobenzene-1,3-dicarboxylic acid.	Acta crystallographica. Section C, Crystal structure communications 20070601
Tetraaquabis(5-carboxy-2-nitrobenzoato-kappaO)manganese(II) dihydrate: a metal-water chain complex containing cyclic water tetramers.	Acta crystallographica. Section C, Crystal structure communications 20070301