2,5-Dihydroxy-1,4-benzenedicarboxaldehyde

C₈H₆O₄CAS 1951-36-6166.13 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₈H₆O₄
Molar mass: 166.13 g/mol
Exact mass: 166.0266 Da
logP: 0.72Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

1951-36-6

SMILES

C1=C(C(=CC(=C1O)C=O)O)C=O

InChIKey

PIWMYUGNZBJTID-UHFFFAOYSA-N

InChI

InChI=1S/C8H6O4/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-4,11-12H

Weigh it out

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

Names and synonyms

1 names

1,4-Benzenedicarboxaldehyde, 2,5-dihydroxy-

Work with 2,5-Dihydroxy-1,4-benzenedicarboxaldehyde

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

2,4,5-Trihydroxybenzaldehyde35094-87-289 % similar 2,4-Dihydroxybenzaldehyde95-01-263 % similar 2,5-Dihydroxybenzaldehyde1194-98-560 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-358 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-158 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Iodosalicylaldehyde1761-62-256 % similar 5-Chlorosalicylaldehyde635-93-856 % similar

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

Same formula

Terephthalic acid100-21-0 Isophthalic acid121-91-5 exo-5,6-Dehydronorcantharidin6118-51-0 5-Formylsalicylic acid616-76-2 Phthalic acid88-99-3 1,3-Benzodioxole-5-carboxylic acid94-53-1

Elsewhere

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