1-Octadecanesulfonic acid
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Basic information
- CAS
120519-47-3- Standard SMILES
CCCCCCCCCCCCCCCCCCS(=O)(=O)O- InChIKey
CACRRXGTWZXOAU-UHFFFAOYSA-N- Molecular formula
- C18H38O3S
- Average molar mass
- 334.6 g/mol
- Monoisotopic mass
- 334.25416624
Names & identifiers
- Preferred name
- 1-Octadecanesulfonic acid
- IUPAC
- octadecane-1-sulfonic acid
- English name
- octadecane-1-sulfonic acid
- Molecular formula
- C18H38O3S
- Molecular weight
- 0
Names & synonyms
1-Octadecanesulfonic acidoctadecane-1-sulfonic acid120519-47-36140-87-0OctadecylsulfonsaureSCHEMBL199732SCHEMBL3335131SCHEMBL4880544DTXSID1073361
Database identifiers
- CAS
120519-47-3、6140-87-0- PubChem CID
- 83799
- DTXSID
DTXSID1073361- Nikkaji
- J520.631F
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 307
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Related reactions
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Compound notes
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