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

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Catalog Number
ACM66905177
Product Name
2,5-Dimethylbenzene-1-sulfonic acid 2-hydrate
Structure
Structure
CAS
66905-17-7
Category
Heterocyclic Organic Compound
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
Molecular Weight
222.26g/mol
Molecular Formula
C8H14O5S
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
MSDS
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COA
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Spec Sheet
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