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540-82-9 molecular structure
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ethoxysulfonic acid

ChemBase ID: 127332
Molecular Formular: C2H6O4S
Molecular Mass: 126.13164
Monoisotopic Mass: 125.99867967
SMILES and InChIs

SMILES:
O=S(=O)(O)OCC
Canonical SMILES:
CCOS(=O)(=O)O
InChI:
InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKey:
KIWBPDUYBMNFTB-UHFFFAOYSA-N

Cite this record

CBID:127332 http://www.chembase.cn/molecule-127332.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethoxysulfonic acid
IUPAC Traditional name
ethyl sulfate
Synonyms
Ethyl sulfate
Sulfovinic acid
Ethyl bisulfate
Ethoxysulfonic acid
Ethyl sulphate
Ethyl sulfate
CAS Number
540-82-9
PubChem SID
162221653
PubChem CID
6004
Chemspider ID
5782
Wikipedia Title
Ethyl_sulfate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.082154  H Acceptors
H Donor LogD (pH = 5.5) -2.4831793 
LogD (pH = 7.4) -2.4831822  Log P -0.106783345 
Molar Refractivity 23.0017 cm3 Polarizability 9.998081 Å3
Polar Surface Area 63.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Melting Point
-25°C expand Show data source
Boiling Point
209 °C (decomp.) expand Show data source
Density
1.46 g/cm3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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