6-methyl-8-nitro-4-oxo-4H-chromene-3-carbaldehyde
Basic information
- CAS
879559-54-3- Standard SMILES
Cc1cc([N+](=O)[O-])c2occ(C=O)c(=O)c2c1- InChIKey
SXWLMTKBGJSOBH-UHFFFAOYSA-N- Molecular formula
- C11H7NO5
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.03242232
Names & identifiers
- Preferred name
- 6-methyl-8-nitro-4-oxo-4H-chromene-3-carbaldehyde
- IUPAC
- 6-methyl-8-nitro-4-oxochromene-3-carbaldehyde
Names & synonyms
6-methyl-8-nitro-4-oxo-4H-chromene-3-carbaldehyde879559-54-36-methyl-8-nitro-4-oxochromene-3-carbaldehydeSCHEMBL27003696SCHEMBL29951925DTXSID20635252AKOS005171818DB-359635AN-584/434926816-Methyl-8-nitro-4-oxo-4H-1-benzopyran-3-carbaldehyde
Database identifiers
- CAS
879559-54-3- PubChem CID
- 23630751
- DTXSID
DTXSID20635252
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 397
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Related reactions
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Compound notes
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