Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methyl-1,3-oxazole-4-carboxylic acid |
EINECS | N/A |
CAS No. | 103879-58-9 | Density | 1.348 g/cm3 |
PSA | 63.33000 | LogP | 0.68120 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5NO3 | Boiling Point | 274.4 °C at 760 mmHg |
Molecular Weight | 127.1 | Flash Point | 119.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
AC1Q2FNH;AKOS001836446;AG-D-15353;CID11355484;TC-069188;SBB053173; |
Article Data | 2 |
The 4-Oxazolecarboxylicacid, 5-methyl- with CAS registry number of 103879-58-9 is also known as CID11355484. The IUPAC name is 5-Methyl-1,3-oxazole-4-carboxylic acid. It belongs to product categories of Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Building Blocks; Oxazole. In addition, the formula is C5H5NO3 and the molecular weight is 127.10. What's more, it may cause inflammation to the skin or other mucous membranes.
Other characteristics of the 4-Oxazolecarboxylicacid, 5-methyl- can be summarised as followings: (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: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 52.33 Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 28.39 cm3; (13)Molar Volume: 94.2 cm3; (14)Polarizability: 11.25×10-24cm3; (15)Surface Tension: 53.7 dyne/cm; (16)Density: 1.348 g/cm3; (17)Flash Point: 119.7 °C; (18)Enthalpy of Vaporization: 54.17 kJ/mol; (19)Boiling Point: 274.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00263 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ncoc1C
2.InChI: InChI=1/C5H5NO3/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8)
3.InChIKey: QIACATCUODRSLS-UHFFFAOYAL