Basic information
- CAS
2297-94-1- Standard SMILES
O=Nc1ccc(O)c(=O)cc1- InChIKey
FYTNKOSUJSUKML-UHFFFAOYSA-N- Molecular formula
- C7H5NO3
- Average molar mass
- 151.12 g/mol
- Monoisotopic mass
- 151.02694302
Names & identifiers
- Preferred name
- 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one
- IUPAC
- 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one
Names & synonyms
5-NitrosotropoloneRCH-1082297-94-12,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-5-NITROSO-NSC-53101FCN4CK2QY42-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-oneRefChem:1063388RCH 1082-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-oneBRN 20431422-hydroxy-5-nitrosocyclohepta-2,4,6-trienone
Show more names
SCHEMBL916360DTXSID50879046JZDGBGLMLYFPHL-UHFFFAOYSA-NNSC53101NSC 531012,6-Cycloheptatrien-1-one, 2-hydroxy-5-nitroso-2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one #2,4,6-CYCLOHEPTATRIENE-1-ONE, 2-HYDROXY-5-NITROS
Database identifiers
- CAS
2297-94-1- PubChem CID
- 16807
- DTXSID
DTXSID50879046- UNII
- FCN4CK2QY4
- Nikkaji
- J2.583.156J、J354.169J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
LogP0.83
Related reactions
3 records
Compound notes
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