Methyl 5-formyl-2-methoxybenzoate

C₁₀H₁₀O₄CAS 78515-16-9194.19 g/mol

Open in Covalent MOL file

Aldehyde Ester Ether

Properties

Molecular formula: C₁₀H₁₀O₄
Molar mass: 194.19 g/mol
Exact mass: 194.0579 Da
logP: 1.29Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

78515-16-9

SMILES

COC1=C(C=C(C=C1)C=O)C(=O)OC

InChIKey

CNRMXICSYWVJRD-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3

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Work with Methyl 5-formyl-2-methoxybenzoate

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

Methyl 5-formylsalicylate41489-76-365 % similar Methyl 4-formyl-2-methylbenzoate74733-23-663 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-060 % similar Veratraldehyde120-14-958 % similar Methyl 4-formylbenzoate1571-08-055 % similar Methyl 2-methoxybenzoate606-45-155 % similar Methyl 2-methoxy-5-(methylsulfonyl)benzoate63484-12-855 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-454 % similar

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

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 Hydroquinone diacetate1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 3-Acetoxy-O-toluic acid168899-58-9

Elsewhere

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