2,5-Dimethylbenzene-1-sulfonic acid 2-hydrate

• CAS: 66905-17-7
• Catalog Number: ACM66905177
• Category: Other Products
• Molecular Weight: 222.26g/mol
• Molecular Formula: C8H14O5S
• Synonyms: 2,5-DIMETHYLBENZENE-1-SULFONIC ACID DIHYDRATE;P-XYLENE-2-SULFONIC ACID DIHYDRATE;2,5-dimethylbenzene-1-sulphonic acid dihydrate;Benzenesulfonic acid, 2,5-dimethyl-, dihydrate;1,4-XYLENE-2-SULFONIC ACID DIHYDRATE;1,4-Dimethylbenzene-2-sulfonic acid dihydr
• IUPAC Name: 2,5-dimethylbenzenesulfonic acid;dihydrate
• Canonical SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)O.O.O
• InChI: InChI=1S/C8H10O3S.2H₂O/c1-6-3-4-7(2)8(5-6)12(9,10)11;;/h3-5H,1-2H3,(H,9,10,11);2*1H2
• InChI Key: JTZNHHUWLGOSQL-UHFFFAOYSA-N
• Density: g/cm³
• Appearance: WHITE ADHERING CRYSTALS
• Complexity: 240
• Covalently-Bonded Unit Count: 3
• Exact Mass: 222.056195g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 14
• Monoisotopic Mass: 222.056195g/mol
• Rotatable Bond Count: 1