Basic information
- CAS
145348-26-1- Standard SMILES
COC(=O)C1(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
JPEDHHGXVGENMN-UHFFFAOYSA-N- Molecular formula
- C11H11NO6S
- Average molar mass
- 285.28 g/mol
- Monoisotopic mass
- 285.03070824
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, methyl ester
- IUPAC
- methyl 1-(4-nitrophenyl)sulfonylcyclopropane-1-carboxylate
Names & synonyms
145348-26-1Cyclopropanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, methyl esterMethyl 1-((4-nitrophenyl)sulfonyl)cyclopropanecarboxylateDTXSID00162995Methyl 1-(4-nitrobenzene-1-sulfonyl)cyclopropane-1-carboxylate
Database identifiers
- CAS
145348-26-1- PubChem CID
- 86451
- DTXSID
DTXSID00162995- Nikkaji
- J667.553K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
LogP1.33
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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