Basic information
- CAS
57543-79-0- Standard SMILES
COc1cccc2c1OC(C)C([N+](=O)[O-])=C2- InChIKey
SHCOTMVNOXWXRY-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 8-Methoxy-2-methyl-3-nitro-2H-1-benzopyran
- IUPAC
- 8-methoxy-2-methyl-3-nitro-2H-chromene
- English name
- 8-Methoxy-2-methyl-3-nitro-2H-1-benzopyran
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
8-Methoxy-2-methyl-3-nitro-2H-1-benzopyran57543-79-0BRN 14300612H-1-BENZOPYRAN, 8-METHOXY-2-METHYL-3-NITRO-DTXSID00973104DB-296891
Database identifiers
- CAS
57543-79-0- PubChem CID
- 42447
- DTXSID
DTXSID00973104- Nikkaji
- J132.091B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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