2,5-Dioxopyrrolidin-1-yl 3-oxocyclobutanecarboxylate

HCID 59133049

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Grundinformationen

CAS: 939412-81-4
Standard-SMILES: O=C1CC(C(=O)ON2C(=O)CCC2=O)C1
InChIKey: YSSHHKYKCKPLCN-UHFFFAOYSA-N
Summenformel: C9H9NO5
Durchschnittliche Molmasse: 211,17 g/mol
Monoisotopische Masse: 211,04807239

Namen und Bezeichner

Bevorzugter Name: 2,5-Dioxopyrrolidin-1-yl 3-oxocyclobutanecarboxylate
IUPAC: (2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylate
Englischer Name: 3-Oxo-cyclobutanecarboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester
Summenformel: C9H9NO5
Molmasse: 211.17146

Namen und Synonyme

939412-81-42,5-Dioxopyrrolidin-1-yl 3-oxocyclobutanecarboxylate3-oxo-cyclobutanecarboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester2,5-dioxopyrrolidin-1-yl 3-oxocyclobutane-1-carboxylate(2,5-dioxopyrrolidin-1-yl) 3-oxocyclobutane-1-carboxylateSCHEMBL593371YSSHHKYKCKPLCN-UHFFFAOYSA-NDB-183636F306562,5-Dioxopyrrolidin-1-yl3-oxocyclobutanecarboxylateA1-065271-{[(3-Oxocyclobutyl)carbonyl]oxy}pyrrolidine-2,5-dione

Weitere Namen anzeigen

3-Oxo-cyclobutanecarboxylic acid 2,5-dioxo-pyrrolidin-1-yl esteCyclobutanecarboxylic acid, 3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester

3-oxo-cyclobutanecarboxylic acid 2,5-dioxopyrrolidin-1-yl ester

Datenbank-Bezeichner

CAS: 939412-81-4
PubChem CID: 59133049
EC Number: 686-916-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,3
Polarare Oberfläche (TPSA): 80,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 338

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.