Basic Information | Post buying leads | Suppliers |
Name |
2-Pyridinesulfonicacid, 3-methyl- |
EINECS | N/A |
CAS No. | 223480-78-2 | Density | 1.422 g/cm3 |
PSA | 75.64000 | LogP | 1.71750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7NO3S | Boiling Point | N/A |
Molecular Weight | 173.192 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methylpyridine-2-sulfonicacid; |
The 2-Pyridinesulfonicacid, 3-methyl-, with CAS registry number 223480-78-2, belongs to the following product category: Pyridines. It has the systematic name of 3-methylpyridine-2-sulfonic acid. And the chemical formula of this chemical is C6H7NO3S.
Physical properties of 2-Pyridinesulfonicacid, 3-methyl-: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.06; (4)ACD/LogD (pH 7.4): -4.06; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.64 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 39.52 cm3; (15)Molar Volume: 121.7 cm3; (16)Polarizability: 15.66×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.422 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ncccc1C
(2)InChI: InChI=1/C6H7NO3S/c1-5-3-2-4-7-6(5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
(3)InChIKey: PQDKQNSTGLBIAT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H7NO3S/c1-5-3-2-4-7-6(5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
(5)Std. InChIKey: PQDKQNSTGLBIAT-UHFFFAOYSA-N