2,4-Dihydroxybenzaldehyde

C₇H₆O₃CAS 95-01-2138.12 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₇H₆O₃
Molar mass: 138.12 g/mol
Exact mass: 138.0317 Da
Melting point: 135 °C
Boiling point: 85–90 °C (at 0.03 Torr)
logP: 0.91Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

95-01-2

SMILES

O=Cc1ccc(O)cc1O

InChIKey

IUNJCFABHJZSKB-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H

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

Names and synonyms

14 names · show all

Benzaldehyde, 2,4-dihydroxy-
β-Resorcylaldehyde
2,4-Dihydroxybenzenecarbonal
β-Resorcylic aldehyde
4-Hydroxysalicylaldehyde
β-Resorcaldehyde
β-Resorcinaldehyde
4-Formylresorcinol
6-Formylresorcinol
NC 012
2,4-Dihydroxysalicylaldehyde
NSC 8690
2,4-Dihydroxybezaldehyde
4-Formylbenzene-1,3-diol

Work with 2,4-Dihydroxybenzaldehyde

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

4-Bromo-2-hydroxybenzaldehyde22532-62-364 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-162 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-662 % similar 2-Chloro-4-hydroxybenzaldehyde56962-11-962 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-159 % similar 2,4,5-Trihydroxybenzaldehyde35094-87-258 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-057 % similar 2,4,6-Trihydroxybenzaldehyde487-70-756 % similar

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

Same formula

2,5-Dihydroxybenzaldehyde1194-98-5 Protocatechuic aldehyde139-85-5 2,3-Dihydroxybenzaldehyde24677-78-9 3,5-Dihydroxybenzaldehyde26153-38-8 2,6-Dihydroxybenzaldehyde387-46-2 3-Furanacrylic acid39244-10-5 Sesamol533-31-3 Furylacrylic acid539-47-9

Elsewhere

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