Name: Name:4H-1,2,4-triazole-3,5-dicarboxylic acid
Brand: Angene
SKU: AG01AKYI
Rating: 90 (10 reviews)

4H-1,2,4-triazole-3,5-dicarboxylic acid

CAS No.:

34550-41-9

Catalog Number:

AG01AKYI

Molecular Formula:

C4H3N3O4

Molecular Weight:

157.0843

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Product Description

Catalog Number:

AG01AKYI

Chemical Name:

4H-1,2,4-triazole-3,5-dicarboxylic acid

CAS Number:

34550-41-9

Molecular Formula:

C4H3N3O4

Molecular Weight:

157.0843

MDL Number:

MFCD20621118

IUPAC Name:

1H-1,2,4-triazole-3,5-dicarboxylic acid

InChI:

InChI=1S/C4H3N3O4/c8-3(9)1-5-2(4(10)11)7-6-1/h(H,8,9)(H,10,11)(H,5,6,7)

InChI Key:

UJXWDYHVZBKHMB-UHFFFAOYSA-N

SMILES:

OC(=O)c1nnc([nH]1)C(=O)O

Properties

Complexity:

194

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.085g/mol

Monoisotopic Mass:

157.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3

Literature

Title	Journal
Spontaneous asymmetric crystallization of a quartz-type framework from achiral precursors.	Dalton transactions (Cambridge, England : 2003) 20120321
Synthesis and characterisation of Mn(II), Co(II) and Cd(II) coordination polymers of 1,2,4-triazole-3, 5-dicarboxylic acid.	Dalton transactions (Cambridge, England : 2003) 20100707
Bis[triaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-κO,N)copper(II)] di-μ-aqua-bis-[diaqua-(1H-1,2,4-triazole-3,5-dicarboxyl-ato-κO,N)copper(II)].	Acta crystallographica. Section E, Structure reports online 20090801
catena-Poly[[triaqua-zinc(II)]-μ-1H-1,2,4-triazole-3,5-dicarboxyl-ato].	Acta crystallographica. Section E, Structure reports online 20080901