Ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylate

HCID 4196515

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 42368-92-3
Standard-SMILES: CCCc1c(O)ccc2c(=O)cc(C(=O)OCC)oc12
InChIKey: KBJFWBWKNHQHDH-UHFFFAOYSA-N
Summenformel: C15H16O5
Durchschnittliche Molmasse: 276,28 g/mol
Monoisotopische Masse: 276,09977361

Namen und Bezeichner

Bevorzugter Name: Ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylate
IUPAC: ethyl 7-hydroxy-4-oxo-8-propylchromene-2-carboxylate
Englischer Name: ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylate
Summenformel: C15H16O5
Molmasse: 276.28

Namen und Synonyme

42368-92-3Ethyl 7-hydroxy-4-oxo-8-propyl-4H-chromene-2-carboxylateRefChem:596022655-390-0Oprea1_466981SCHEMBL9174879KBJFWBWKNHQHDH-UHFFFAOYSA-NAKOS024417661DA-199892-carboethoxy-7-hydroxy-8-n-propylchromone2-ethoxycarbonyl-7-hydroxy-8-n-propylchromoneethyl 7-hydroxy-8-n-propylchromone-2-carboxylate

Weitere Namen anzeigen

4H-1-Benzopyran-2-carboxylic acid, 7-hydroxy-4-oxo-8-propyl-, ethyl ester

Ethyl 7-Hydroxy-8-propyl-4-oxo-4H-1-benzopyran-2-carboxylateEthyl 7-hydroxy-4-oxo-8-n-propyl-4H-1-benzopyran-2-carboxylate

Datenbank-Bezeichner

CAS: 42368-92-3
PubChem CID: 4196515
EC Number: 655-390-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 72,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 5
Schwere Atome: 20
Formalladung: 0
Komplexität: 414

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.