Basic Information | Post buying leads | Suppliers |
Name |
2-Methyloxazole-4-carboxylic acid |
EINECS | N/A |
CAS No. | 23062-17-1 | Density | 1.348 g/cm3 |
PSA | 63.33000 | LogP | 0.68120 |
Solubility | N/A | Melting Point |
182-187 ºC |
Formula | C5H5NO3 | Boiling Point | 269.9 °C at 760 mmHg |
Molecular Weight | 127.10 | Flash Point | 117 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-methyl-1,3-oxazole-4-carboxylic acid;4-oxazolecarboxylic acid, 2-methyl-;2-methyloxazole-4-carboxylic acid;Oxazole-4-carboxylic acid, 2-methyl-; |
The 2-Methyloxazole-4-carboxylic acid, with the CAS registry number 23062-17-1, has the systematic name of 4-(chloromethyl)-7-hydroxy-2H-chromen-2-one. It belongs to the following product categories: Heterocycles series; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles. And the molecular formula of the chemical is C5H5NO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.92; (4)ACD/LogD (pH 7.4): -3.19; (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: 52.33 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 28.39 cm3; (15)Molar Volume: 94.2 cm3; (16)Polarizability: 11.25×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 117 °C; (20)Enthalpy of Vaporization: 53.66 kJ/mol; (21)Boiling Point: 269.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00349 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1nc(oc1)C
(2)InChI: InChI=1/C5H5NO3/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)
(3)InChIKey: IARMCEYEYXXEOS-UHFFFAOYAE