Basic information
- CAS
6293-53-4- Standard SMILES
CCC(CS(=O)(=O)O)[N+](=O)[O-]- InChIKey
UPJUQZAOTUYIMG-UHFFFAOYSA-N- Molecular formula
- C4H9NO5S
- Average molar mass
- 183.19 g/mol
- Monoisotopic mass
- 183.02014356
Names & identifiers
- Preferred name
- 2-Nitro-butane-1-sulfonic acid
- IUPAC
- 2-nitrobutane-1-sulfonic acid
Names & synonyms
NSC3767NSC89602-(Hydroxy(oxido)amino)-1-butanesulfonic acid6293-53-42-nitro-butane-1-sulfonic acid2-nitrobutane-1-sulfonic acid1-Butanesulfonic acid, 2-nitro-, ammonium salt745717-45-7CHEMBL2009806DTXSID001372026NCI60_041991Butanesulfonic acid, 2-nitro-, ammonium salt
Database identifiers
- CAS
6293-53-4、745717-45-7- PubChem CID
- 111186
- DTXSID
DTXSID001372026- ChEMBL
CHEMBL2009806- EC Number
- 228-554-0
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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