chempirical

3,5-Dihydroxybenzaldehyde

C7H6O3CAS 26153-38-8138.12 g/mol

Open in Covalent MOL file
OOHOH
AldehydePhenol

Properties

Molecular formula
C7H6O3
Molar mass
138.12 g/mol
Exact mass
138.0317 Da
Melting point
145–146 °C
logP
0.91Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26153-38-8
SMILES
O=Cc1cc(O)cc(O)c1
InChIKey
HAQLHRYUDBKTJG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H

Weigh it out

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Names and synonyms

2 names
  • Benzaldehyde, 3,5-dihydroxy-
  • α-Resorcylaldehyde

Work with 3,5-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

3-Hydroxybenzaldehyde100-83-460 % similar 4-Hydroxybenzaldehyde123-08-057 % similar 3,4,5-Trihydroxybenzaldehyde13677-79-752 % similar 2,4,6-Trihydroxybenzaldehyde487-70-752 % similar Phloroglucinol108-73-650 % similar 5-Bromoisophthalaldehyde120173-41-350 % similar 3,5-Dibromobenzaldehyde56990-02-450 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-548 % 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 2,6-Dihydroxybenzaldehyde387-46-2 3-Furanacrylic acid39244-10-5 Sesamol533-31-3 Furylacrylic acid539-47-9 Salicylic acid69-72-7

Elsewhere

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