CAS 357263-59-3 Alfa-oxo-1H-pyrrolo-[2,3B]pyridine-3-acetic acid monopotassium salt (HCID 23721194)

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Grundinformationen

CAS: 357263-59-3
Standard-SMILES: O=C([O-])C(=O)c1c[nH]c2ncccc12.[K+]
InChIKey: YIQLVLNMGQKIES-UHFFFAOYSA-M
Summenformel: C9H5KN2O3
Durchschnittliche Molmasse: 228,25 g/mol
Monoisotopische Masse: 227,99372351

Namen und Bezeichner

Bevorzugter Name: Alfa-oxo-1H-pyrrolo-[2,3B]pyridine-3-acetic acid monopotassium salt
IUPAC: potassium 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
Englischer Name: Alfa-oxo-1H-pyrrolo-[2,3b]pyridine-3-acetic acid monopotassium salt
Summenformel: C9H7KN2O3
Molmasse: 230.26

Namen und Synonyme

357263-59-3ALFA-OXO-1H-PYRROLO-[2,3B]PYRIDINE-3-ACETIC ACID MONOPOTASSIUM SALTPotassium alpha-oxo-7-azaindole-3-acetatepotassium;2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetateALFA-OXO-1H-PYRROLO-[2,3B]PYRIDINE-3-ACETICACIDMONOPOTASSIUMSALTPotassium oxo(1H-pyrrolo[2,3-b]pyridin-3-yl)acetateSCHEMBL2688784SCHEMBL29688228DTXSID40635815YIQLVLNMGQKIES-UHFFFAOYSA-MAKOS015961521AB31277

Weitere Namen anzeigen

Potassium α-oxo-7-azaindole-3-acetatePotassium α-oxo-7-azaindole-3-acetate, CAS 357263-59-3

Potassium(7-azaindol-3-yl)-oxoacetatePotassium (7-azaindol-3-yl)-oxoacetate

Datenbank-Bezeichner

CAS: 357263-59-3
PubChem CID: 23721194
DTXSID: DTXSID40635815

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 85,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 272

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-108 °C
Aggregatzustand: solid
InChI: 1S/C9H6N2O3.K/c12-7(9(13)14)6-4-11-8-5(6)2-1-3-10-8;/h1-4H,(H,10,11)(H,13,14);/q;+1/p-1
InChIKey: YIQLVLNMGQKIES-UHFFFAOYSA-M
SMILES: [K+].[O-]C(=O)C(=O)c1c[nH]c2ncccc12

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.