Benzoic acid, p-(pentylsulfonyl)-
Basic information
- CAS
32910-75-1- Standard SMILES
CCCCCS(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
PONXTRASYKQAIS-UHFFFAOYSA-N- Molecular formula
- C12H16O4S
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.07693016
Names & identifiers
- Preferred name
- Benzoic acid, p-(pentylsulfonyl)-
- IUPAC
- 4-pentylsulfonylbenzoic acid
Names & synonyms
32910-75-1Benzoic acid, p-(pentylsulfonyl)-SCHEMBL27317432DTXSID309545674-(Pentane-1-sulfonyl)benzoic acidAKOS000178173DA-22141
Database identifiers
- CAS
32910-75-1- PubChem CID
- 181122
- DTXSID
DTXSID30954567
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
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Compound notes
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