Ethyl 2-Oxocycloheptanecarboxylate - CAS 774-05-0
Catalog: |
BB035927 |
Product Name: |
Ethyl 2-Oxocycloheptanecarboxylate |
CAS: |
774-05-0 |
Synonyms: |
2-oxo-1-cycloheptanecarboxylic acid ethyl ester; ethyl 2-oxocycloheptane-1-carboxylate |
IUPAC Name: | ethyl 2-oxocycloheptane-1-carboxylate |
Description: | Ethyl 2-Oxocycloheptanecarboxylate (CAS# 774-05-0) is used in the synthesis of fused tricyclic coumarin sulfonate derivatives which exhibits antiproliferative activity against a panel of 57 human cancer cell lines. |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CCOC(=O)C1CCCCCC1=O |
InChI: | InChI=1S/C10H16O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h8H,2-7H2,1H3 |
InChI Key: | MKRBAWHVHOVBOQ-UHFFFAOYSA-N |
Boiling Point: | 85-87 °C / 0.1 mmHg (lit.) |
Density: | 1.04 g/mL at 25°C(lit.) |
LogP: | 2.08900 |
GHS Hazard Statement: | H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2019171277-A1 | Cylcoalkenyl derivatives useful as agonists of the gpr120 and /or gpr40 receptors | 20180306 |
AU-2015359562-A1 | Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) | 20141208 |
AU-2015359562-B2 | Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV) | 20141208 |
CA-2963054-A1 | Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (rsv) | 20141208 |
EA-030636-B1 | PIPERIDINE SUBSTITUTED TRICYCLIC PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) | 20141208 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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