Benzenesulfonic acid,4-hydroxy-3-methoxy- supplier

Name
POTASSIUM GUAIACOLSULFONATE
EINECS 230-434-8
CAS No. 7134-11-4
Article Data6
CAS DataBase
Density 1.516 g/cm³
Solubility
Melting Point
Formula C₇H₈O₅S
Boiling Point
Molecular Weight 204.204
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Hydroxy-2-methoxy-4-phenylsulfonicacid;4-Hydroxy-3-methoxybenzenesulfonic acid;Guaiacolsulfonate;benzenesulfonic acid, 4-hydroxy-3-methoxy-;
PSA 104.27000
LogP 1.32140

Benzenesulfonic acid,4-hydroxy-3-methoxy- Specification

The Benzenesulfonic acid,4-hydroxy-3-methoxy-, with the CAS registry number 7134-11-4, has the systematic name of 4-hydroxy-3-methoxybenzenesulfonic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₈O₅S.

The characteristics of Benzenesulfonic acid,4-hydroxy-3-methoxy- are as followings: (1)ACD/LogP: -1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.02; (4)ACD/LogD (pH 7.4): -5.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.21 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 44.99 cm³; (15)Molar Volume: 134.6 cm³; (16)Polarizability: 17.83×10^-24cm³; (17)Surface Tension: 59.6 dyne/cm; (18)Density: 1.516 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(OC)c(O)cc1
(2)InChI: InChI=1/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)
(3)InChIKey: QDRCGSIKAHSALR-UHFFFAOYAE

Product Name

POTASSIUM GUAIACOLSULFONATE

Benzenesulfonic acid,4-hydroxy-3-methoxy- Specification

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