6-Formaldehydecoumarin
Properties
- Molecular formula
- C10H6O3
- Molar mass
- 174.15 g/mol
- Exact mass
- 174.0317 Da
- logP
- 1.61Crippen estimate
- Polar surface area
- 47.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311 Toxic if swallowed or in contact with skin33.3% of notifiers
- H301 Toxic if swallowed33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H317 May cause an allergic skin reaction33.3% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
51690-26-7SMILES
C1=CC2=C(C=CC(=O)O2)C=C1C=OInChIKey
RQCHYJGDSCWRSQ-UHFFFAOYSA-NInChI
InChI=1S/C10H6O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Oxo-2H-chromene-6-carbaldehyde
Work with 6-Formaldehydecoumarin
Similar compounds
1-Benzofuran-5-carbaldehyde10035-16-256 % similar
6-Hydroxycoumarin6093-68-154 % similar
6-Methylcoumarin92-48-854 % similar
6-Aminocoumarin hydrochloride63989-79-750 % similar
2-Naphthalenecarboxaldehyde66-99-948 % similar
Coumarin91-64-548 % similar
Coumarin-6-sulfonyl chloride10543-42-748 % similar
6-Nitrocoumarin2725-81-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds