Basic information
- CAS
96954-33-5- Standard SMILES
O=Nc1ccc(NNc2cccccc2=O)c(=O)cc1- InChIKey
VSKXPPWZVGSTAT-UHFFFAOYSA-N- Molecular formula
- C14H11N3O3
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.08004122
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-
- IUPAC
- 5-nitroso-2-[2-(7-oxocyclohepta-1,3,5-trien-1-yl)hydrazinyl]cyclohepta-2,4,6-trien-1-one
Names & synonyms
BRN 1822895RCH-1742,4,6-CYCLOHEPTATRIEN-1-ONE, 5-NITROSO-2,2'-HYDRAZODI-96954-33-5DTXSID80242648RefChem:245698DTXCID101651395-nitroso-2-[2-(7-oxocyclohepta-1,3,5-trien-1-yl)hydrazinyl]cyclohepta-2,4,6-trien-1-one5-NITROSO-2-[2-(7-OXOCYCLOHEPTA-1,3,5-TRIEN-1-YL)HYDRAZIN-1-YL]CYCLOHEPTA-2,4,6-TRIEN-1-ONERCH-174, BRN 1822895, CID57148, LS-56207, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 5-NITROSO-2,2-HYDRAZODI-, 96954-33-5
Database identifiers
- CAS
96954-33-5- PubChem CID
- 57148
- DTXSID
DTXSID80242648
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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