3-Hydroxypyrazine-2-carboxylic Acid - CAS 20737-42-2

Catalog:	BB016243
Product Name:	3-Hydroxypyrazine-2-carboxylic Acid
CAS:	20737-42-2
Synonyms:	2-oxo-1H-pyrazine-3-carboxylic acid; 2-oxo-1H-pyrazine-3-carboxylic acid

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Computed Properties

IUPAC Name:	2-oxo-1H-pyrazine-3-carboxylic acid
Description:	3-Hydroxypyrazine-2-carboxylic Acid (CAS# 20737-42-2) is a useful research chemical.
Molecular Weight:	140.10
Molecular Formula:	C5H4N2O3
Canonical SMILES:	C1=CN=C(C(=O)N1)C(=O)O
InChI:	InChI=1S/C5H4N2O3/c8-4-3(5(9)10)6-1-2-7-4/h1-2H,(H,7,8)(H,9,10)
InChI Key:	FJZRUSFQHBBTCC-UHFFFAOYSA-N
Boiling Point:	608.5 °C at 760 mmHg
Density:	1.63 g/cm³
MDL:	MFCD00235136
LogP:	-0.11960

Publication Number	Title	Priority Date
WO-2019245910-A1	Triazine compounds and uses thereof	20180622
EP-3810600-A1	Triazine compounds and uses thereof	20180622
US-2021246122-A1	Triazine Compounds and Uses Thereof	20180622
CN-107879583-A	Sludge pyrohydrolysis and anaerobic digestion integrated treatment process system	20171223
CN-108083599-A	For the foam Ti-base catalyst of sludge hot hydrolysis process system	20171223

PMID	Publication Date	Title	Journal
21887357	20110101	Ketamine influences CLOCK:BMAL1 function leading to altered circadian gene expression	PloS one
19402051	20090701	Derivatives of pyrazinecarboxylic acid: 1H, 13C and 15N NMR spectroscopic investigations	Magnetic resonance in chemistry : MRC
18220342	20080218	Hydrothermal in situ synthesis and characterization of Cu(II) complexes	Inorganic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02219199
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.02219199
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2