Statements (22)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
|
| gptkbp:appearance |
colorless crystals
|
| gptkbp:aroma |
vanilla-like
|
| gptkbp:boilingPoint |
298°C
|
| gptkbp:CASNumber |
91-64-5
|
| gptkbp:chemicalFormula |
C9H6O2
|
| gptkbp:foundIn |
gptkb:sweet_clover
tonka beans |
| gptkbp:hasInChIKey |
InChI=1S/C9H6O2/c10-9-5-4-7-2-1-3-8(7)6-9/h1-6H
|
| gptkbp:hasSMILES |
O=C1C=CC2=CC=CC=C2O1
|
| https://www.w3.org/2000/01/rdf-schema#label |
1,4-benzopyrone
|
| gptkbp:IUPACName |
1-benzopyran-4-one
|
| gptkbp:meltingPoint |
68°C
|
| gptkbp:molecularWeight |
146.15 g/mol
|
| gptkbp:otherName |
coumarin
|
| gptkbp:riskFactor |
toxic in large amounts
|
| gptkbp:structure |
benzene ring fused to a pyrone ring
|
| gptkbp:uses |
gptkb:perfume
flavoring agent anticoagulant precursor |
| gptkbp:bfsParent |
gptkb:chromones
|
| gptkbp:bfsLayer |
6
|