trans-4-Methoxy-3-buten-2-one - CAS 51731-17-0
Catalog: |
BB027567 |
Product Name: |
trans-4-Methoxy-3-buten-2-one |
CAS: |
51731-17-0 |
Synonyms: |
(E)-4-methoxybut-3-en-2-one |
IUPAC Name: | (E)-4-methoxybut-3-en-2-one |
Description: | trans-4-Methoxy-3-buten-2-one (CAS# 51731-17-0 ) is a useful research chemical. |
Molecular Weight: | 100.12 |
Molecular Formula: | C5H8O2 |
Canonical SMILES: | CC(=O)C=COC |
InChI: | InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+ |
InChI Key: | VLLHEPHWWIDUSS-ONEGZZNKSA-N |
Boiling Point: | 200 °C at 760 mmHg |
Density: | 0.925 g/cm3 |
Appearance: | Light yellow clear liquid |
LogP: | 0.73550 |
Publication Number | Title | Priority Date |
WO-2021158634-A1 | Irak degraders and uses thereof | 20200203 |
WO-2021062245-A1 | Pyridone compounds and methods of use in the modulation of a protein kinase | 20190926 |
WO-2020215094-A1 | Substituted 2-amino-pyrazolyl-[1,2,4]triazolo[1,5a] pyridine derivatives and use thereof | 20190418 |
WO-2020212828-A1 | Compositions and methods for application over skin | 20190415 |
WO-2020048455-A1 | Trk inhibitor as anti-cancer drug | 20180903 |
PMID | Publication Date | Title | Journal |
22733346 | 20120821 | Michael addition/pericyclization/rearrangement--a multicomponent strategy for the synthesis of substituted resorcinols | Organic & biomolecular chemistry |
Complexity: | 84.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 100.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.052429494 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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