499-49-0 | 5-Methylisophthalic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$6.00	$4.00
10g	97%	in stock	$8.00	$6.00
25g	97%	in stock	$17.00	$12.00
100g	≥98%	in stock	$48.00	$33.00

Description

• Catalog Number: AB69440
• Chemical Name: 5-Methylisophthalic acid
• CAS Number: 499-49-0
• Molecular Formula: C9H8O4
• Molecular Weight: 180.1574
• MDL Number: MFCD00013986
• SMILES: Cc1cc(cc(c1)C(=O)O)C(=O)O
• NSC Number: 41436

Computed Properties

• Complexity: 202
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.3

Literature

• Two novel 3-D coordination polymers with 5-methoxyisophthalate and flexible N-donor co-ligands showing pentanuclear or alternate mono/binuclear Cu(II) units.

  Dalton transactions (Cambridge, England : 2003) 20120221

• Structure and photoluminescence tuning features of Mn(2+)- and Ln(3+)-activated Zn-based heterometal-organic frameworks (MOFs) with a single 5-methylisophthalic acid ligand.

  Inorganic chemistry 20111017

• catena-Poly[[aqua-[1,4-bis-(1H-imidazol-4-yl)benzene]cadmium]-μ(3)-5-methyl-isophthalato].

  Acta crystallographica. Section E, Structure reports online 20110901

• Poly[[μ-1,4-bis-(1H-imidazol-4-yl)benzene-κN:N](μ-5-methyl-isophthalato-κO:O)cobalt(II)].

  Acta crystallographica. Section E, Structure reports online 20110801

• Unique Zn(II) coordination entanglement networks with a flexible fluorinated bis-pyridinecarboxamide tecton and benzenedicarboxylates.

  Chemical communications (Cambridge, England) 20101128

• Copper(II) 5-methoxyisophthalate coordination polymers incorporating dipyridyl co-ligands: syntheses, crystal structures, and magnetic properties.

  Dalton transactions (Cambridge, England : 2003) 20100307

• Isoreticular metal-organic polyhedral networks based on 5-connecting paddlewheel motifs.

  Inorganic chemistry 20090302

• Targeted synthesis of a prototype MOF based on Zn4(O)(O2C)6 units and a nonlinear dicarboxylate ligand.

  Inorganic chemistry 20090119

• catena-Poly[[(1,10-phenanthroline)manganese(II)]-μ(3)-5-methyl-isophthalato].

  Acta crystallographica. Section E, Structure reports online 20081201

• Low-level self-assembly of open framework based on three different polyhedra: metal-organic analogue of face-centered cubic dodecaboride.

  Journal of the American Chemical Society 20080123