Methyl 4-oxobutanoate - CAS 13865-19-5
Catalog: |
BB008824 |
Product Name: |
Methyl 4-oxobutanoate |
CAS: |
13865-19-5 |
Synonyms: |
methyl 4-oxobutanoate |
IUPAC Name: | methyl 4-oxobutanoate |
Description: | Methyl 4-oxobutanoate (CAS# 13865-19-5) is a useful research chemical. |
Molecular Weight: | 116.12 |
Molecular Formula: | C5H8O3 |
Canonical SMILES: | COC(=O)CCC=O |
InChI: | InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3 |
InChI Key: | DLZVZNAPRCRXEG-UHFFFAOYSA-N |
Boiling Point: | 167.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.037 g/cm3 |
Appearance: | Reddish brown viscous liquid |
MDL: | MFCD00082185 |
LogP: | 0.13850 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207291-A1 | Compounds and uses thereof | 20200406 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2021105474-A1 | New compounds for treatment of diseases related to dux4 expression | 20191129 |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
WO-2020191056-A1 | Pyridazinones and methods of use thereof | 20190320 |
PMID | Publication Date | Title | Journal |
19743819 | 20091015 | Asymmetric copper(I)-catalyzed Henry reaction with an aminoindanol-derived bisoxazolidine ligand | Organic letters |
18396909 | 20080516 | Organocatalytic and enantioselective synthesis of beta-(hydroxyalkyl)-gamma-butyrolactones | The Journal of organic chemistry |
Complexity: | 87.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.047344113 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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