Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Hydroxymethyl-pyridine-2-carboxylic acid |
EINECS | 200-258-5 |
CAS No. | 1197-10-0 | Density | 1.405 g/cm3 |
PSA | 70.42000 | LogP | 0.27210 |
Solubility | N/A | Melting Point |
137 °C |
Formula | C7H7NO3 | Boiling Point | 381.235 °C at 760 mmHg |
Molecular Weight | 153.137 | Flash Point | 184.364 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Picolinicacid, 6-(hydroxymethyl)- (7CI,8CI);6-(Hydroxymethyl)-2-pyridinecarboxylic acid; |
Article Data | 11 |
The IUPAC name of this chemical is 6-(hydroxymethyl)pyridine-2-carboxylic acid. With the CAS registry number 1197-10-0, it is also named as 6-(Hydroxymethyl)picolinic acid. The product's categories are Carboxylic Acids; Pyridines. It is an organic compound with the formula C7H7NO3. Ad the molecular weight is 153.14.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.26; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 37.725 cm3; (12)Molar Volume: 109.003 cm3; (13)Polarizability: 14.956×10-24 cm3; (14)Surface Tension: 71.611 dyne/cm; (15)Enthalpy of Vaporization: 66.401 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 2; (18)Exact Mass: 153.042593; (19)MonoIsotopic Mass: 153.042593; (20)Topological Polar Surface Area: 70.4; (21)Heavy Atom Count: 11; (22)Complexity: 149.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(nc(c1)C(=O)O)CO
2. InChI:InChI=1/C7H7NO3/c9-4-5-2-1-3-6(8-5)7(10)11/h1-3,9H,4H2,(H,10,11)
3. InChIKey:SWQMSUWYOLDNBU-UHFFFAOYAV
4. Std. InChI:InChI=1S/C7H7NO3/c9-4-5-2-1-3-6(8-5)7(10)11/h1-3,9H,4H2,(H,10,11)
5. Std. InChIKey:SWQMSUWYOLDNBU-UHFFFAOYSA-N