Completing data — usually done within a minute
Basic information
- CAS
18521-59-0- Standard SMILES
CCCCc1ccc(S(=O)(=O)O)cc1- InChIKey
JNVFIMNBBVDEPV-UHFFFAOYSA-N- Molecular formula
- C10H14O3S
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.06636531
Names & identifiers
- Preferred name
- 4-Butylbenzenesulfonic acid
- IUPAC
- 4-butylbenzenesulfonic acid
Names & synonyms
4-Butylbenzenesulfonic acid18521-59-04-Butylbenzene-1-sulfonic acid4-n-butylbenzenesulfonic acidSCHEMBL269162SCHEMBL4651022SCHEMBL4651027SCHEMBL27366281DTXSID90171753JNVFIMNBBVDEPV-UHFFFAOYSA-N
Database identifiers
- CAS
18521-59-0- PubChem CID
- 29117
- DTXSID
DTXSID90171753- Nikkaji
- J1.331.338E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Related reactions
1 records
Compound notes
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