2-Ethoxypropan-1-ol;4-methylbenzenesulfonic acid
Basic information
- CAS
54646-37-6- Standard SMILES
CCOC(C)CO.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
DTAPQMMXMUQBEB-UHFFFAOYSA-N- Molecular formula
- C12H20O5S
- Average molar mass
- 276.35 g/mol
- Monoisotopic mass
- 276.10314491
Names & identifiers
- Preferred name
- 2-Ethoxypropan-1-ol;4-methylbenzenesulfonic acid
- IUPAC
- 2-ethoxypropan-1-ol;4-methylbenzenesulfonic acid
Names & synonyms
54646-37-62-Ethoxypropan-1-ol;4-methylbenzenesulfonic acidDTXSID807880364-Methylbenzene-1-sulfonic acid--2-ethoxypropan-1-ol (1/1)
Database identifiers
- CAS
54646-37-6- PubChem CID
- 71364572
- DTXSID
DTXSID80788036
Properties
Computed structural properties
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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