3-Acetyl-6-nitrochromen-2-one
Basic information
- CAS
53653-67-1- Standard SMILES
CC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O- InChIKey
GRICKQQNBMVHCM-UHFFFAOYSA-N- Molecular formula
- C11H7NO5
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.03242232
Names & identifiers
- Preferred name
- 3-Acetyl-6-nitrochromen-2-one
- IUPAC
- 3-acetyl-6-nitrochromen-2-one
- English name
- 3-Acetyl-6-nitrocoumarin
- Molecular formula
- C11H7NO5
- Molecular weight
- 233.18
Names & synonyms
53653-67-13-acetyl-6-nitrochromen-2-one3-Acetyl-6-nitro-2H-chromen-2-one3-ACETYL-6-NITROCOUMARIN2H-1-Benzopyran-2-one, 3-acetyl-6-nitro-3-acetyl-6-nitro-2H-1-benzopyran-2-oneCHEMBL4164409Coumarin, 3-acetyl-6-nitro-3-acetyl-6-nitro-2-oxochromeneDTXSID40337246GRICKQQNBMVHCM-UHFFFAOYSA-NBDBM50298221
Show more names
3-Acetyl-6-nitro-2H-chromen-2-one, 3-Acetyl-6-nitro-2-oxo-2H-chromene
STK833954AKOS000512250CCG-3231183-Acetyl-6-nitro-2H-chromen-2-one #DB-315077ST4079324ST50244029Z56756385
Database identifiers
- CAS
53653-67-1- PubChem CID
- 540544
- DTXSID
DTXSID40337246- ChEMBL
CHEMBL4164409
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312-P271
- HS Code
- 2930901600 · 2930901600
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930901600
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P312-P271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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