2-(4-ethoxy-3-methoxyphenyl)-1H-indene-1,3(2H)-dione
Basic information
- CAS
883805-79-6- Standard SMILES
CCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1OC- InChIKey
BWUXZMBQCCUWRX-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- 2-(4-ethoxy-3-methoxyphenyl)-1H-indene-1,3(2H)-dione
- IUPAC
- 2-(4-ethoxy-3-methoxyphenyl)indene-1,3-dione
- English name
- 2-(4-Ethoxy-3-methoxyphenyl)-1H-indene-1,3(2H)-dione
- Molecular formula
- C18H16O4
- Molecular weight
- 296.32
Names & synonyms
2-(4-ethoxy-3-methoxyphenyl)-1H-indene-1,3(2H)-dione883805-79-6MFCD00406424AKOS024326406SY3503262-(4-ETHOXY-3-METHOXY-PHENYL)-INDAN-1,3-DIONE
Database identifiers
- CAS
883805-79-6- PubChem CID
- 3536714
- EC Number
- 163-814-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 468.4 · 468.4±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 8.04 · 8.04±0.20(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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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