Sulfuric acid, monopropyl ester
Basic information
- CAS
13425-84-8- Standard SMILES
CCCOS(=O)(=O)O- InChIKey
TYRGSDXYMNTMML-UHFFFAOYSA-N- Molecular formula
- C3H8O4S
- Average molar mass
- 140.16 g/mol
- Monoisotopic mass
- 140.01432991
Overview
Propyl hydrogen sulfate is a sulfuric ester.
Names & identifiers
- Preferred name
- Sulfuric acid, monopropyl ester
- IUPAC
- propyl hydrogen sulfate
- English name
- propyl hydrogen sulfate
- Molecular formula
- C3H8O4S
- Molecular weight
- 140.16
Names & synonyms
Sulfuric acid, monopropyl esterMonopropyl sulfate13425-84-8DTXSID60158612RefChem:382684DTXCID8081103propyl hydrogen sulfateJ6XQ7T77C2propyl sulfatepropyl hydrogen sulate1-PropylhydrogensulfatUNII-J6XQ7T77C2
Show more names
SCHEMBL125578SCHEMBL456606SCHEMBL1436912SCHEMBL4816848SCHEMBL5888190CHEBI:229803
Database identifiers
- CAS
13425-84-8- PubChem CID
- 70469
- DTXSID
DTXSID60158612- ChEBI
CHEBI:229803- UNII
- J6XQ7T77C2
- Nikkaji
- J1.564.485K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 264 °C · 264 °C
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- -3.26 · -3.26±0.18(Predicted)
- FDA UNII
- 6 XQ7T77C2 · J6XQ7T77C2
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Related reactions
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Compound notes
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