Basic information
- CAS
85567-58-4- Standard SMILES
CCCCc1c(S(=O)(=O)O)ccc2ccccc12- InChIKey
KGRKBAKQGAXOFO-UHFFFAOYSA-N- Molecular formula
- C14H16O3S
- Average molar mass
- 264.34 g/mol
- Monoisotopic mass
- 264.08201554
Names & identifiers
- Preferred name
- 1-Butylnaphthalene-2-sulfonic acid
- IUPAC
- 1-butylnaphthalene-2-sulfonic acid
- English name
- butylnaphthalene-2-sulphonic acid
- Molecular formula
- C14H16O3S
- Molecular weight
- 264.34004
Names & synonyms
1-butylnaphthalene-2-sulfonic acid85567-58-4SCHEMBL7563342KGRKBAKQGAXOFO-UHFFFAOYSA-NDTXSID501006143NS00064670Einecs 287-772-4butylnaphthalene-2-sulphonic acid
Database identifiers
- CAS
85567-58-4- PubChem CID
- 412155
- DTXSID
DTXSID501006143- EC Number
- 287-772-4
- Nikkaji
- J178.517F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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