Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

C₉H₁₀O₄CAS 41264-06-6182.17 g/mol

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Properties

Molecular formula: C₉H₁₀O₄
Molar mass: 182.17 g/mol
Exact mass: 182.0579 Da
Melting point: 67 °C
Boiling point: 150–160 °C (at 10 Torr)
logP: 1.04Crippen estimate
Polar surface area: 56.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

41264-06-6

SMILES

COC(=O)c1c(C)cc(=O)oc1C

InChIKey

VLYBFLKIZIACQH-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3

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Names and synonyms

5 names

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
Methyl 4,6-dimethyl-2-pyrone-5-carboxylate
Isodehydroacetic acid methyl ester
Methyl isodehydroacetate
2,4-Dimethyl-6-oxo-6H-pyran-3-carboxylic acid methyl ester

Work with Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Atraric acid4707-47-544 % similar Methyl 3,4-dimethylbenzoate38404-42-141 % similar Methyl 2-methylfuran-3-carboxylate6141-58-840 % similar Methyl coumalate6018-41-340 % similar 2,5-Dimethyl 2,5-furandicarboxylate4282-32-039 % similar Methyl 2-methylbenzoate89-71-439 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-439 % similar Tetramethyl pyromellitate635-10-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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