tert-Butyl 3-Oxocyclobutanecarboxylate - CAS 145549-76-4
Catalog: |
BB009971 |
Product Name: |
tert-Butyl 3-Oxocyclobutanecarboxylate |
CAS: |
145549-76-4 |
Synonyms: |
3-oxo-1-cyclobutanecarboxylic acid tert-butyl ester; tert-butyl 3-oxocyclobutane-1-carboxylate |
IUPAC Name: | tert-butyl 3-oxocyclobutane-1-carboxylate |
Description: | tert-Butyl 3-Oxocyclobutanecarboxylate (CAS# 145549-76-4) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | CC(C)(C)OC(=O)C1CC(=O)C1 |
InChI: | InChI=1S/C9H14O3/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6H,4-5H2,1-3H3 |
InChI Key: | JINYZTGTQXDUQR-UHFFFAOYSA-N |
Boiling Point: | 230.414 ℃ at 760 mmHg |
Density: | 1.101 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD12827541 |
LogP: | 1.30720 |
Publication Number | Title | Priority Date |
US-2021317094-A1 | Aminocyclobutanes as monoacylglycerol lipase modulators | 20200326 |
WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 20200326 |
US-2021253565-A1 | Monoacylglycerol lipase modulators | 20200210 |
WO-2021160602-A1 | Monoacylglycerol lipase modulators | 20200210 |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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