2-Quinolone-3-carboxylic acid

HCID 332488CAS 2003-79-4

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Grundinformationen

Standard-SMILES: O=C(O)c1cc2ccccc2[nH]c1=O
InChIKey: XOQQVKDBGLYPGH-UHFFFAOYSA-N
Summenformel: C10H7NO3
Durchschnittliche Molmasse: 189,17 g/mol
Monoisotopische Masse: 189,04259308

Überblick

2-Hydroxy-3-quinolinecarboxylic acid has been reported in Penicillium citrinum with data available.

Namen und Bezeichner

Bevorzugter Name: 2-Quinolone-3-carboxylic acid
IUPAC: 2-oxo-1H-quinoline-3-carboxylic acid
Englischer Name: 2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid
Summenformel: C10H7NO3
Molmasse: 189.17

Namen und Synonyme

2003-79-42-oxo-1,2-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-2-Hydroxy-3-quinolinecarboxylic acid2-quinolone-3-carboxylic acid2-Oxoquinoline-3-carboxylic acid5YC1Y02JDCNSC 329342NSC-329342DTXSID501738543-CARBOXY-2-HYDROXYQUINOLINEQUINOLIN-2(1H)-ONE-3-CARBOXYLIC ACID

Weitere Namen anzeigen

TIMTEC-BB SBB0102302-Hydroxquinoline-3-carboxylic acid1,2-Dihydro-2-oxoquinoline-3-carboxylic acid2-hydroxyquinoline-3-carboxylic acid(SALTDATA: FREE)

1,2-DIHYDRO-2-OXO-3-QUINOLINECARBOXYLIC ACIDRefChem:483518DTXCID1096345843-452-12-hydroxyquinoline-3-carboxylic acid2-oxo-1H-quinoline-3-carboxylic acid2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid2-oxo-1,2-dihydro-3-quinolinecarboxylic acid

Datenbank-Bezeichner

CAS: 2003-79-4
PubChem CID: 332488
DTXSID: DTXSID50173854
UNII: 5YC1Y02JDC
EC Number: 843-452-1
Nikkaji: J695.295J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 66,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 308

Physikochemische Eigenschaften

Schmelzpunkt: 330 · 330-332°C
Siedepunkt: 440.9 · 440.9±45.0 °C(Predicted)
Dichte: 1.429 · 1.429±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.36 · 2.36±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.