2,5-Pyrazinedicarboxylic Acid - CAS 122-05-4
Catalog:
BB005330
Product Name:
2,5-Pyrazinedicarboxylic Acid
CAS:
122-05-4
Synonyms:
pyrazine-2,5-dicarboxylic acid; pyrazine-2,5-dicarboxylic acid
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BB005330
100 g
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BB005330
1 kg
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IUPAC Name: pyrazine-2,5-dicarboxylic acid
Description: 2,5-Pyrazinedicarboxylic Acid (CAS# 122-05-4) is a useful research chemical.
Molecular Weight: 168.11
Molecular Formula: C6H4N2O4
Canonical SMILES: C1=C(N=CC(=N1)C(=O)O)C(=O)O
InChI: InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChI Key: GMIOYJQLNFNGPR-UHFFFAOYSA-N
Boiling Point: 466.5 °C at 760 mmHg
Density: 1.665 g/cm3
Storage: Inert atmosphere, 2-8 °C
LogP: -0.12700
GHS Hazard Statement: H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
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PMID Publication Date Title Journal
22199521 20111201 catena-Poly[[(6-carb-oxy-pyrazine-2-carboxyl-ato)lithium]-μ-aqua] Acta crystallographica. Section E, Structure reports online
21714492 20110801 Reductive approach to mixed valency (n = 1-) in the pyrazine ligand-bridged [(acac)2Ru(μ-L(2-))Ru(acac)2](n) (L(2-) = 2,5-pyrazine-dicarboxylate) through experiment and theory Inorganic chemistry
22090895 20110801 catena-Poly[[(aqualithium)-μ-3-carboxypyrazine-2-carboxylato-κO,N:O,N] monohydrate] Acta crystallographica. Section E, Structure reports online
21522570 20101208 Poly[di-μ-aqua-μ(4)-(pyrazine-2,5-dicarboxyl-ato)-dilithium(I)] Acta crystallographica. Section E, Structure reports online
21588578 20100804 Diisopropyl pyrazine-2,5-dicarboxyl-ate Acta crystallographica. Section E, Structure reports online
Complexity: 184
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 168.01710661
Formal Charge: 0
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 168.01710661
Rotatable Bond Count: 2
Topological Polar Surface Area: 100 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -0.5
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