2-Hydroxy-1,3,5-benzenetricarbaldehyde

C₉H₆O₄CAS 81502-74-1178.14 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₉H₆O₄
Molar mass: 178.14 g/mol
Exact mass: 178.0266 Da
logP: 0.83Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 1 / 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

81502-74-1

SMILES

C1=C(C=C(C(=C1C=O)O)C=O)C=O

InChIKey

HKAZHQGKWVMFHP-UHFFFAOYSA-N

InChI

InChI=1S/C9H6O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-5,13H

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Work with 2-Hydroxy-1,3,5-benzenetricarbaldehyde

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

Diformylcresol7310-95-462 % similar 3,4,5-Trihydroxybenzaldehyde13677-79-760 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-556 % similar 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-956 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-356 % similar 3,5-Dichloro-4-hydroxybenzaldehyde2314-36-556 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-556 % similar 3,4,5-Trihydroxybenzaldehyde hydrate207742-88-954 % similar

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

Same formula

5,7-Dihydroxycoumarin2732-18-5 Aesculetin305-01-1 5,7-Dihydroxychromone31721-94-5 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid4792-29-4 Ninhydrin485-47-2 Daphnetin486-35-1

Elsewhere

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