Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Pyridinecarboxylicacid, 3-sulfo- |
EINECS | N/A |
CAS No. | 6602-52-4 | Density | 1.722 g/cm3 |
PSA | 112.94000 | LogP | 1.10730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5NO5S | Boiling Point | 687.5°C at 760 mmHg |
Molecular Weight | 203.175 | Flash Point | 369.6°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Picolinic acid, 3-sulfo- (7CI,8CI);3-Sulfopicolinic acid;3-Sulfopyridine-2-carboxylic acid;3-Sulfo-2-pyridinecarboxylic acid; |
Article Data | 2 |
The systematic name of 2-Pyridinecarboxylicacid, 3-sulfo- is 3-sulfopyridine-2-carboxylic acid. With the CAS registry number 6602-52-4, it is also named as 3-Sulfo-2-pyridinecarboxylic acid. The product's category is Pyridines. In addition, its molecular formula is C6H5NO5S and its molecular weight is 203.17.
The other characteristics of 2-Pyridinecarboxylicacid, 3-sulfo- can be summarized as: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.25; (4)ACD/LogD (pH 7.4): -6.34; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 90.94 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 41.17 cm3; (15)Molar Volume: 117.9 cm3; (16)Polarizability: 16.32 ×10-24cm3; (17)Surface Tension: 83.2 dyne/cm; (18)Density: 1.722 g/cm3.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c1ncccc1S(=O)(=O)O
(2)InChI: InChI=1/C6H5NO5S/c8-6(9)5-4(13(10,11)12)2-1-3-7-5/h1-3H,(H,8,9)(H,10,11,12)
(3)InChIKey: YAPINGRWIXUNLL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5NO5S/c8-6(9)5-4(13(10,11)12)2-1-3-7-5/h1-3H,(H,8,9)(H,10,11,12)
(5)Std. InChIKey: YAPINGRWIXUNLL-UHFFFAOYSA-N