Basic information
- CAS
1116359-18-2- Standard SMILES
COc1c([N+](=O)[O-])ccc2c1CCC2=O- InChIKey
NKNFHZYVTNSHIX-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 4-Methoxy-5-nitro-2,3-dihydro-1H-inden-1-one
- IUPAC
- 4-methoxy-5-nitro-2,3-dihydroinden-1-one
- English name
- 1H-Inden-1-one, 2,3-dihydro-4-Methoxy-5-nitro-
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
4-Methoxy-5-nitro-2,3-dihydro-1H-inden-1-one1116359-18-24-methoxy-5-nitro-2,3-dihydroinden-1-oneSCHEMBL17605160DTXSID80649052NKNFHZYVTNSHIX-UHFFFAOYSA-NDB-3324005-Methoxy-6-nitro-indan-1-one4-Methoxy-5-nitro-indan-1-one1H-Inden-1-one, 2,3-dihydro-4-Methoxy-5-nitro-
Database identifiers
- CAS
1116359-18-2- PubChem CID
- 25199092
- DTXSID
DTXSID80649052
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 85 · 85-86 °C
- Boiling point
- 407.3 · 407.3±45.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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