Methyl trans-4-oxo-2-pentenoate - CAS 2833-24-1
Catalog: |
BB019819 |
Product Name: |
Methyl trans-4-oxo-2-pentenoate |
CAS: |
2833-24-1 |
Synonyms: |
methyl (E)-4-oxopent-2-enoate |
IUPAC Name: | methyl (E)-4-oxopent-2-enoate |
Description: | Methyl trans-4-oxo-2-pentenoate (CAS# 2833-24-1 ) is a useful research chemical. |
Molecular Weight: | 128.13 |
Molecular Formula: | C6H8O3 |
Canonical SMILES: | CC(=O)C=CC(=O)OC |
InChI: | InChI=1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+ |
InChI Key: | GLVNZYODMKSEPS-ONEGZZNKSA-N |
Melting Point: | 59-61 °C(lit.) |
Purity: | 95 % |
MDL: | MFCD00059331 |
LogP: | 0.30460 |
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-2021179049-A1 | Treatment of disorders associated with oxidative stress and compounds for same | 20200313 |
US-2021220317-A1 | Fumarate ester dosage forms with enhanced gastrointestinal tolerability | 20200110 |
US-2021299079-A1 | Monomethyl fumarate-carrier conjugates and methods of their use | 20181206 |
US-10556852-B2 | Production of maleic acid, fumaric acid, or maleic anhydride from levulinic acid analogs | 20170608 |
US-2018354883-A1 | Production of maleic acid, fumaric acid, or maleic anhydride from levulinic acid analogs | 20170608 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 128.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.047344113 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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