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2-Hydroxy-4-methylbenzenesulfonic Acid

CAT: 0572-TRC-H947483-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H947483-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22356-80-5
Synonyms
2-Hydroxy-4-methylbenzenesulfonic Acid; p-Toluenesulfonic acid, 2-hydroxy- (8CI)
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
Cc1ccc(c(O)c1)S(=O)(=O)O
Molecular Formula
C7 H8 O4 S
Molecular Weight
188.2
InChI
InChI=1S/C7H8O4S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
Additionnal Information
IUPAC name: 2-hydroxy-4-methylbenzenesulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Hydroxy-4-methylbenzenesulfonic acid

See also: Policresulen (monomer of).

CAS Number22356-80-5
PubChem CID89674
IUPAC Name2-hydroxy-4-methylbenzenesulfonic acid
Molecular FormulaC7H8O4S
Molecular Weight188.20
XLogP1.2
Topological Polar Surface Area83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity241
SMILES
CC1=CC(=C(C=C1)S(=O)(=O)O)O
InChI
InChI=1S/C7H8O4S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKey
GCFPFWRHYINTRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-4-methylbenzenesulfonic acid
CAS: 22356-80-5
CID: 89674
Formula: C7H8O4S
MW: 188.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.20
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass188.01432991
Monoisotopic Mass188.01432991
Topological Polar Surface Area83 Ų
Heavy Atom Count12
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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