6,7-Dimethoxyflavone
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Basic information
- CAS
26964-27-2- Standard SMILES
COc1cc2oc(-c3ccccc3)cc(=O)c2cc1OC- InChIKey
XZRIVAKQBKTLEQ-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 6,7-Dimethoxyflavone
- IUPAC
- 6,7-dimethoxy-2-phenylchromen-4-one
- English name
- 6,7-DIMETHOXYFLAVONE
- Molecular formula
- C17H14O4
- Molecular weight
- 282.29
Names & synonyms
6,7-dimethoxyflavone26964-27-26,7-dimethoxy-2-phenylchromen-4-oneDTXSID103502654H-1-Benzopyran-4-one, 6,7-dimethoxy-2-phenyl-RefChem:103860DTXCID70301334XZRIVAKQBKTLEQ-UHFFFAOYSA-N6,7-dimethoxy-2-phenyl-4H-chromen-4-one4H-1-Benzopyran-4-one,6,7-dimethoxy-2-phenyl-MFCD00017698TNP00050
Show more names
SCHEMBL4650049CHEMBL1316190SCHEMBL315278196,7-dimethoxyflavone, AldrichCPRAKOS0242823796,7-dimethoxy-2-phenyl-chromen-4-oneNCGC00017186-01NCGC00017186-02
Database identifiers
- CAS
26964-27-2- PubChem CID
- 676294
- DTXSID
DTXSID10350265- ChEMBL
CHEMBL1316190- EC Number
- 108-382-1
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 188 · 188-189°C
- Boiling point
- 457.6 · 457.6±45.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C17H14O4/c1-19-16-8-12-13(18)9-14(11-6-4-3-5-7-11)21-15(12)10-17(16)20-2/h3-10H,1-2H3
- InChIKey
- XZRIVAKQBKTLEQ-UHFFFAOYSA-N
- SMILES
- COc1cc2OC(=CC(=O)c2cc1OC)c3ccccc3
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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