2-methyl-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl acetate
Basic information
- CAS
315233-90-0- Standard SMILES
CC(=O)Oc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1- InChIKey
QQFJOBXIGIQEQN-UHFFFAOYSA-N- Molecular formula
- C18H13NO7
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.06920175
Names & identifiers
- Preferred name
- 2-methyl-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl acetate
- IUPAC
- [2-methyl-3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate
Names & synonyms
2-methyl-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl acetate315233-90-0Oprea1_096750Oprea1_420017[2-methyl-3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetateAKOS003615726EU-0072773SR-01000444023SR-01000444023-1F0758-0111
Database identifiers
- CAS
315233-90-0- PubChem CID
- 3286706
- EC Number
- 126-568-0
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 616
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)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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