Basic information
- CAS
129414-72-8- Standard SMILES
CCc1cc2c(=O)c(-c3ccccc3)c(C)oc2cc1OC- InChIKey
AGMFDOOWGCLDQI-UHFFFAOYSA-N- Molecular formula
- C19H18O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12559443
Names & identifiers
- Preferred name
- 6-Ethyl-7-methoxy-2-methyl-3-phenyl-4H-chromen-4-one
- IUPAC
- 6-ethyl-7-methoxy-2-methyl-3-phenylchromen-4-one
- English name
- 6-ethyl-7-methoxy-2-methyl-3-phenylchromen-4-one
- Molecular formula
- C19H18O3
- Molecular weight
- 294.34
Names & synonyms
6-Ethyl-7-methoxy-2-methyl-3-phenyl-4H-chromen-4-oneCambridge id 6662006Oprea1_246708Oprea1_4755356-ethyl-7-methoxy-2-methyl-3-phenylchromen-4-oneAGMFDOOWGCLDQI-UHFFFAOYSA-NSTK966765AKOS003615994129414-72-86-Ethyl-7-methoxy-2-methyl-3-phenyl-4H-chromen-4-one #Chroman-4-one, 2,3-dehydro-6-ethyl-7-methoxy-2-methyl-3-phenyl-4H-1-Benzopyran-4-one, 6-ethyl-7-methoxy-2-methyl-3-phenyl-
Database identifiers
- CAS
129414-72-8- PubChem CID
- 626232
- EC Number
- 166-537-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 139 °C · 139 °C
- Boiling point
- 452.6 · 452.6±45.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, 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 CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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