Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate

HCID 54684458CAS 40059-53-8

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Grundinformationen

Standard-SMILES: CCOC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIKey: LGLPFJDOUVCBNP-UHFFFAOYSA-N
Summenformel: C12H11NO4
Durchschnittliche Molmasse: 233,22 g/mol
Monoisotopische Masse: 233,06880783

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
IUPAC: ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
Englischer Name: 1,2-DIHYDRO-4-HYDROXY-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
Summenformel: C12H11NO4
Molmasse: 233.22

Namen und Synonyme

ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylateRefChem:595433866-520-240059-53-81,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl esterMFCD002183453-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-2-oxo-, ethyl esterETHYL 4-HYDROXY-2-OXO-1H-QUINOLINE-3-CARBOXYLATECHEMBL3268533-Carbethoxy-4-hydroxy-2-quinoloneethyl 2,4-dihydroxyquinoline-3-carboxylateEthyl 1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylate

Weitere Namen anzeigen

AURORA KA-44643-Ethoxycarbonyl-2,4-dihydroxyquinolineEthyl 4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxylate(3Z)-3-[ETHOXY(HYDROXY)METHYLIDENE]-1H-QUINOLINE-2,4-DIONE1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylicaciethylester1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl...

4-Hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid ethyl esterOprea1_531233Oprea1_795352SCHEMBL1058188Ethyl4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylateSCHEMBL27659536SCHEMBL29860485DTXSID80193121

Datenbank-Bezeichner

CAS: 40059-53-8
PubChem CID: 54684458
DTXSID: DTXSID80193121
ChEMBL: CHEMBL326853
EC Number: 866-520-2
Nikkaji: J503.319E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 375

Physikochemische Eigenschaften

Schmelzpunkt: 208 °C · 208 °C
Siedepunkt: 458 · 458.0±45.0 °C(Predicted)
Dichte: 1.378 · 1.378±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.5 · 4.50±1.00(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

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