4-Pyridinecarboxylic acid, 3-sulfo- supplier

Name
3-SULFOISONICOTINIC ACID
EINECS
CAS No. 4833-93-6
Density 1.722 g/cm³
Solubility
Melting Point 315-316 °C (decomp)
Formula C₆H₅NO₅S
Boiling Point
Molecular Weight 203.175
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isonicotinicacid, 3-sulfo- (7CI,8CI);3-Sulfoisonicotinic acid;NSC 74449;
PSA 112.94000
LogP 1.10730

4-Pyridinecarboxylic acid, 3-sulfo- Specification

This chemical is called 4-Pyridinecarboxylic acid, 3-sulfo-, and its systematic name is 3-sulfopyridine-4-carboxylic acid. With the molecular formula of C₆H₅NO₅S, its molecular weight is 203.17. The CAS registry number of this chemical is 4833-93-6. Additionally, its product category is Pyridines.

Other characteristics of the 4-Pyridinecarboxylic acid, 3-sulfo- can be summarised as followings: (1)ACD/LogP: -1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 90.94 Å²; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 41.17 cm³; (13)Molar Volume: 117.9 cm³; (14)Polarizability: 16.32×10^-24cm³; (15)Surface Tension: 83.2 dyne/cm; (16)Density: 1.722 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)c1c(C(=O)O)ccnc1
2.InChI: InChI=1/C6H5NO5S/c8-6(9)4-1-2-7-3-5(4)13(10,11)12/h1-3H,(H,8,9)(H,10,11,12)
3.InChIKey: ZCGLTSZUDFDAEK-UHFFFAOYAU

Product Name

3-SULFOISONICOTINIC ACID

4-Pyridinecarboxylic acid, 3-sulfo- Specification

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