Methyl 3-formyl-4-hydroxybenzoate

C₉H₈O₄CAS 24589-99-9180.16 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Ester

Properties

Molecular formula: C₉H₈O₄
Molar mass: 180.16 g/mol
Exact mass: 180.0423 Da
Melting point: 78–80 °C
logP: 0.99Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

24589-99-9

SMILES

COC(=O)c1ccc(O)c(C=O)c1

InChIKey

ADSJCWKOKYOJSZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O4/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-5,11H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzoic acid, 3-formyl-4-hydroxy-, methyl ester
Isophthalaldehydic acid, 4-hydroxy-, methyl ester
5-Carbomethoxysalicylaldehyde
5-(Methoxycarbonyl)salicylaldehyde
3-Formyl-4-hydroxybenzoic acid methyl ester
Methyl-3-formyl-4-hydroxybenzoic acid

Work with Methyl 3-formyl-4-hydroxybenzoate

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

Same formula

5-Acetylsalicylic acid13110-96-8 4-Hydroxyphenylpyruvic acid156-39-8 Monomethyl terephthalate1679-64-7 (4-Formylphenoxy)acetic acid22042-71-3 P-Acetoxybenzoic acid2345-34-8 Phenylmalonic acid2613-89-0 1,3-Benzodioxole-5-acetic acid2861-28-1 Caffeic acid331-39-5

Elsewhere

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