Name: Name:1H-Pyrazole-4,5-dicarboxylic acid
Brand: Angene
SKU: AG00CKXA
Rating: 90 (10 reviews)

1H-Pyrazole-4,5-dicarboxylic acid

CAS No.:

31962-35-3

Catalog Number:

AG00CKXA

Molecular Formula:

C5H4N2O4

Molecular Weight:

156.0963

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Product Description

Catalog Number:

AG00CKXA

Chemical Name:

1H-Pyrazole-4,5-dicarboxylic acid

CAS Number:

31962-35-3

Molecular Formula:

C5H4N2O4

Molecular Weight:

156.0963

MDL Number:

MFCD00229565

IUPAC Name:

1H-pyrazole-4,5-dicarboxylic acid

InChI:

InChI=1S/C5H4N2O4/c8-4(9)2-1-6-7-3(2)5(10)11/h1H,(H,6,7)(H,8,9)(H,10,11)

InChI Key:

IKTPUTARUKSCDG-UHFFFAOYSA-N

SMILES:

OC(=O)c1[nH]ncc1C(=O)O

Properties

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.097g/mol

Monoisotopic Mass:

156.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
A novel three-dimensional heterometalliccoordination polymer:poly[[hexaaquabis[mu3-3,5-dicarboxylatopyrazolato-kappa5O3,N2:N1,O5:O50]-(mu2-oxalato-kappa4O1,O2:O10,O20)-copper(II)dierbium(III)] trihydrate].	Acta crystallographica. Section C, Crystal structure communications 20080801

Properties