Methyl coumalate - CAS 6018-41-3

Catalog: BB030610
Product Name: Methyl coumalate
CAS: 6018-41-3
Synonyms: methyl 6-oxopyran-3-carboxylate
Methyl coumalate
IUPAC Name:methyl 6-oxopyran-3-carboxylate
Description:α, β-Unsaturated ketone Methyl Coumalate showed cytotoxicity against human normal gingival fibroblast cells and oral squamous cell carcinoma cell line-2.
Molecular Weight:154.12
Molecular Formula:C7H6O4
Canonical SMILES:COC(=O)C1=COC(=O)C=C1
InChI:InChI=1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChI Key:HHWWWZQYHPFCBY-UHFFFAOYSA-N
Boiling Point:178-180 ℃ (60 mmHg)
Melting Point:65-67 ℃
Purity:98 %
Density:1.326 g/cm3
Appearance:White to tan powder or crystals
MDL:MFCD00010120
LogP:0.42640

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