3-Ethynylphenyl(p-toluenesulfonate)
Basic information
- Standard SMILES
C#Cc1cccc(-c2cc(S(=O)(=O)[O-])ccc2C)c1- InChIKey
OLCPBZRQOXSKSI-UHFFFAOYSA-M- Molecular formula
- C15H11O3S-
- Average molar mass
- 271.3 g/mol
Names & identifiers
- Preferred name
- 3-Ethynylphenyl(p-toluenesulfonate)
- IUPAC
- 3-(3-ethynylphenyl)-4-methylbenzenesulfonate
Names & synonyms
OLCPBZRQOXSKSI-UHFFFAOYSA-M3-ethynylphenyl(p-toluenesulfonate)
Database identifiers
- PubChem CID
- 22754644
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- -1
- Complexity
- 440
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Related reactions
7 records
Compound notes
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