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M-Phenolsulfonic acid

CAT: 0013-GTR19223098-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223098-01Size:100 mg
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Description
M-Phenolsulfonic acid is a bioactive small molecule utilized in biochemical research. It serves as a key reagent in organic synthesis and is investigated in vitro for its properties relevant to industrial and materials science applications.
CAS Number
585-38-6
Smiles
O=S (=O) (O) C=1C=CC=C (O) C1
Molecular Formula
C6H6O4S
Molecular Weight
174.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

m-Phenolsulfonic acid

3-hydroxybenzenesulfonic acid is an arenesulfonic acid that is phenol substituted by a sulfo group at C-3. It has a role as a metabolite. It is functionally related to a phenol.

CAS Number585-38-6
PubChem CID11451
IUPAC Name3-hydroxybenzenesulfonic acid
Molecular FormulaC6H6O4S
Molecular Weight174.18
XLogP0.3
Topological Polar Surface Area83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity215
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)O
InChI
InChI=1S/C6H6O4S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H,8,9,10)
InChIKey
ZCLXQTGLKVQKFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-Phenolsulfonic acid
CAS: 585-38-6
CID: 11451
Formula: C6H6O4S
MW: 174.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.18
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass173.99867984
Monoisotopic Mass173.99867984
Topological Polar Surface Area83 Ų
Heavy Atom Count11
Formal Charge0
Complexity215
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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