2,3-Dihydroxybenzaldehyde
Properties
- Molecular formula
- C7H6O3
- Molar mass
- 138.12 g/mol
- Exact mass
- 138.0317 Da
- Melting point
- 108 °C
- Boiling point
- 235 °C
- logP
- 0.91Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 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
24677-78-9SMILES
O=Cc1cccc(O)c1OInChIKey
IXWOUPGDGMCKGT-UHFFFAOYSA-NInChI
InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzaldehyde, 2,3-dihydroxy-
- o-Pyrocatechualdehyde
- 5,6-Dihydroxybenzaldehyde
- 3-Hydroxysalicylaldehyde
- 1,2-Dihydroxy-3-formylbenzene
- 3-Formyl-1,2-benzenediol
- NSC 146456
Work with 2,3-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,3,4-Trihydroxybenzaldehyde2144-08-369 % similar
Salicylaldehyde90-02-865 % similar
3-Methylsalicylaldehyde824-42-060 % similar
Ortho-vanillin148-53-855 % similar
Pyrogallol87-66-154 % similar
2-Hydroxy-3-nitrobenzaldehyde5274-70-451 % similar
3-Ethoxysalicylaldehyde492-88-650 % similar
Phthalaldehyde643-79-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds