Basic information
- CAS
256531-53-0- Standard SMILES
COc1ccc(/C=C2/Oc3cc(O)ccc3C2=O)c(OC)c1OC- InChIKey
JGOPTESGPYJSBC-OVCLIPMQSA-N- Molecular formula
- C18H16O6
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.09468823
Names & identifiers
- Preferred name
- 6-Hydroxy-2-((2,3,4-trimethoxyphenyl)methylidene)-2,3-dihydro-1-benzofuran-3-one
- IUPAC
- (2E)-6-hydroxy-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
- English name
- (E)-6-hydroxy-2-(2,3,4-trimethoxybenzylidene)benzofuran-3(2H)-one
- Molecular formula
- C18H16O6
- Molecular weight
- 328.32
Names & synonyms
256531-53-06-Hydroxy-2-[(2,3,4-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-oneRefChem:5433646-Hydroxy-2-((2,3,4-trimethoxyphenyl)methylidene)-2,3-dihydro-1-benzofuran-3-one843-483-0(2E)-6-hydroxy-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-oneEBC-612162EN300-36336Z196385688(E)-6-hydroxy-2-(2,3,4-trimethoxybenzylidene)benzofuran-3(2H)-one3(2H)-Benzofuranone, 6-hydroxy-2-[(2,3,4-trimethoxyphenyl)methylene]-
Database identifiers
- CAS
256531-53-0- PubChem CID
- 908751
- EC Number
- 843-483-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Boiling point
- 548.2 · 548.2±50.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 6.27 · 6.27±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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