4-Hydroxybenzenesulfonic acid, 65% aqueous solution

CAT: 0926-FH75303-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FH75303-01Size:0.25 kg

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CAS Number

98-67-9

MDL Number

MFCD00007506

Smiles

C1=CC (=CC=C1O) S (=O) (=O) O

Molecular Formula

C6H6O4S

Molecular Weight

174.18 g/mol

Controlled

Chemical Information

4-Hydroxybenzenesulfonic acid

4-hydroxybenzenesulfonic acid is an arenesulfonic acid that is phenol substituted by a sulfo group at C-4. It is functionally related to a phenol.

CAS Number	98-67-9
PubChem CID	4765
IUPAC Name	4-hydroxybenzenesulfonic acid
Molecular Formula	C6H6O4S
Molecular Weight	174.18
XLogP	0.2
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	207

SMILES

C1=CC(=CC=C1O)S(=O)(=O)O

InChI

InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)

InChIKey

FEPBITJSIHRMRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98-67-9

CID: 4765

Formula: C6H6O4S

MW: 174.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.18
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	173.99867984
Monoisotopic Mass	173.99867984
Topological Polar Surface Area	83 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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