Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Hydroxy-3-methylpyridine-2-carboxylic acid |
EINECS | N/A |
CAS No. | 115185-81-4 | Density | 1.346 g/cm3 |
PSA | 70.16000 | LogP | 0.38150 |
Solubility | N/A | Melting Point |
290-300 °C (decomp) |
Formula | C7H7NO3 | Boiling Point | 410.358 °C at 760 mmHg |
Molecular Weight | 153.137 | Flash Point | 201.978 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid;2-Pyridinecarboxylicacid,1,6-dihydro-3-methyl-6-oxo-(9CI); |
Article Data | 4 |
The 6-Hydroxy-3-methylpyridine-2-carboxylic acid, with the cas registry number 115185-81-4, has the systematic name of 3-methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid. It belongs to the product categories of Carboxylicacid and Glycinescaffold. And the molecular formula of the chemical is C7H7NO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -4; (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: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 36.552 cm3; (15)Molar Volume: 113.798 cm3; (16)Polarizability: 14.49×10-24cm3; (17)Surface Tension: 51.004 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 201.978 °C; (20)Enthalpy of Vaporization: 72.706 kJ/mol; (21)Boiling Point: 410.358 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC=1/C=C\C(=O)NC=1C(O)=O
(2)InChI: InChI=1/C7H7NO3/c1-4-2-3-5(9)8-6(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
(3)InChIKey: WDZFYBWSAROMOO-UHFFFAOYAY