3-(Cyclohex-1-en-1-yl)propyl 4-nitrobenzene-1-sulfonate
Basic information
- CAS
52890-21-8- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)OCCCC2=CCCCC2)cc1- InChIKey
STNNCQCZBRKHHS-UHFFFAOYSA-N- Molecular formula
- C15H19NO5S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.09839388
Names & identifiers
- Preferred name
- 3-(Cyclohex-1-en-1-yl)propyl 4-nitrobenzene-1-sulfonate
- IUPAC
- 3-(cyclohexen-1-yl)propyl 4-nitrobenzenesulfonate
Names & synonyms
52890-21-83-(Cyclohex-1-en-1-yl)propyl 4-nitrobenzene-1-sulfonateDTXSID20850923
Database identifiers
- CAS
52890-21-8- PubChem CID
- 71442016
- DTXSID
DTXSID20850923
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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