Ethyl 3-Oxocyclopentanecarboxylate - CAS 5400-79-3
Catalog: |
BB028454 |
Product Name: |
Ethyl 3-Oxocyclopentanecarboxylate |
CAS: |
5400-79-3 |
Synonyms: |
3-oxo-1-cyclopentanecarboxylic acid ethyl ester; ethyl 3-oxocyclopentane-1-carboxylate |
IUPAC Name: | ethyl 3-oxocyclopentane-1-carboxylate |
Description: | Ethyl 3-Oxocyclopentanecarboxylate (CAS# 5400-79-3) is a useful research chemical. |
Molecular Weight: | 156.18 |
Molecular Formula: | C8H12O3 |
Canonical SMILES: | CCOC(=O)C1CCC(=O)C1 |
InChI: | InChI=1S/C8H12O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6H,2-5H2,1H3 |
InChI Key: | VGJWAMLZUUGEQY-UHFFFAOYSA-N |
Boiling Point: | 228.2 ℃ at 760 mmHg |
Density: | 1.12 g/cm3 |
MDL: | MFCD01320352 |
LogP: | 0.91870 |
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 |
CN-111253246-A | Acyl acid derivative and preparation method and medical application thereof | 20200316 |
WO-2021154997-A1 | Inhibitors of apol1 and methods of using same | 20200129 |
WO-2020210828-A1 | (aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions | 20190412 |
US-2018215730-A1 | Azolopyrimidine for the treatment of cancer-related disorders | 20170120 |
JP-2017537950-A | Pyrrolopyrimidine compounds | 20141216 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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