Completing data — usually done within a minute
Basic information
- CAS
20921-03-3- Standard SMILES
O=C1CCc2ccc([N+](=O)[O-])cc2O1- InChIKey
DQQRNRLPWFKGNH-UHFFFAOYSA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Names & identifiers
- Preferred name
- 7-Nitro-chroman-2-one
- IUPAC
- 7-nitro-3,4-dihydrochromen-2-one
Names & synonyms
7-nitro-chroman-2-one20921-03-3SCHEMBL5388614DQQRNRLPWFKGNH-UHFFFAOYSA-NDTXSID3012724713,4-Dihydro-7-nitro-2H-1-benzopyran-2-one7-Nitro-3,4-dihydro-2H-1-benzopyran-2-one
Database identifiers
- CAS
20921-03-3- PubChem CID
- 17989341
- DTXSID
DTXSID301272471
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Related reactions
4 records
Compound notes
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