2,8-Dimethyl-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-YL acetate
Basic information
- CAS
302904-19-4- Standard SMILES
CC(=O)Oc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1C- InChIKey
ZHFIUXRKENFPTQ-UHFFFAOYSA-N- Molecular formula
- C19H15NO7
- Average molar mass
- 369.3 g/mol
- Monoisotopic mass
- 369.08485182
Names & identifiers
- Preferred name
- 2,8-Dimethyl-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-YL acetate
- IUPAC
- [2,8-dimethyl-3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate
Names & synonyms
2,8-Dimethyl-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl acetateRefChem:446503302904-19-4663-847-0AKOS024423879
Database identifiers
- CAS
302904-19-4- PubChem CID
- 3307178
- EC Number
- 663-847-0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 645
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, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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