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CAS Number: 99173-61-2
diethyl 3-oxocyclobutane-1,1-dicarboxylate

Structure

diethyl 3-oxocyclobutane-1,1-dicarboxylate
Name: diethyl 3-oxocyclobutane-1,1-dicarboxylate
Synonyms:
General Information
Product Number: 99173612

CAS Registry Number 99173-61-2
Name:
1,​1-​Cyclobutanedicarboxy​lic acid, 3-​oxo-​, 1,​1-​diethyl ester
1,1-Cyclobutanedicarboxylic acid, 3-oxo-, diethyl ester (6CI,9CI)
Diethyl 3-oxocyclobutane-1,1-dicarboxylate

 

Chemical Formula: C10H14O5
Exact Mass: 214.08
Molecular Weight: 214.22
m/z: 214.08 (100.0%), 215.09 (11.2%), 216.09 (1.6%)

 

InChI: InChI=1S/C10H14O5/c1-3-14-8(12)10(5-7(11)6-10)9(13)15-4-2/h3-6H2,1-2H3
InChIKey: RNEYQVYRVAVAIF-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1(CC(=O)C1)C(=O)OCC

 

Thermal Properties Value Condition Note
Boiling Point 150-155 °C Press: 0.1 Torr (1)IC
Boiling Point 128 °C Press: 4 Torr (2)CAS

Specification

98%

References
  1. (1) Allan, Robin D.; Journal of Medicinal Chemistry 1990, V33(10), P2905-15 CAPLUS
  2. (2) Maxim, Maria; Studii si Cercetari de Chimie 1960, V8, P187-99 CAPLUS
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