Basic information
- CAS
57543-83-6- Standard SMILES
Cc1cc2c(cc1C)OC(C)C([N+](=O)[O-])=C2- InChIKey
DRQBSLQRAKLDGC-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 2,6,7-Trimethyl-3-nitro-2H-1-benzopyran
- IUPAC
- 2,6,7-trimethyl-3-nitro-2H-chromene
- English name
- 3-Nitro-2,6,7-trimethyl-2H-1-benzopyran
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
57543-83-6DTXSID209731062,6,7-Trimethyl-3-nitro-2H-1-benzopyranRefChem:1060200DTXCID1014005633-Nitro-2,6,7-trimethyl-2H-1-benzopyranBRN 16213742H-1-BENZOPYRAN, 3-NITRO-2,6,7-TRIMETHYL-5-17-02-00074 (Beilstein Handbook Reference)DB-3155112H-1-Benzopyran, 2,6,7-trimethyl-3-nitro-
Database identifiers
- CAS
57543-83-6- PubChem CID
- 42449
- DTXSID
DTXSID20973106- Nikkaji
- J132.095E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 347.9 · 347.9±42.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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