Basic Information | Post buying leads | Suppliers |
Name |
5-Oxazolecarboxaldehyde, 4-methyl- |
EINECS | N/A |
CAS No. | 159015-06-2 | Density | 1.19 g/cm3 |
PSA | 43.10000 | LogP | 0.79550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5NO2 | Boiling Point | 187.959 °C at 760 mmHg |
Molecular Weight | 111.1 | Flash Point | 67.476 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methyl-1,3-oxazole-5-carbaldehyde; |
The 5-Oxazolecarboxaldehyde, 4-methyl- has the CAS registry number 159015-06-2. This chemical's molecular formula is C5H5NO2 and molecular weight is 111.1. What's more, its systematic name is 4-methyl-1,3-oxazole-5-carbaldehyde.
Physical properties of 5-Oxazolecarboxaldehyde, 4-methyl- are: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24; (8)ACD/KOC (pH 7.4): 24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.1 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 28.222 cm3; (15)Molar Volume: 93.393 cm3; (16)Polarizability: 11.188×10-24cm3; (17)Surface Tension: 42.248 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 67.476 °C; (20)Enthalpy of Vaporization: 42.417 kJ/mol; (21)Boiling Point: 187.959 °C at 760 mmHg; (22)Vapour Pressure: 0.614 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ocnc1C
(2)InChI: InChI=1S/C5H5NO2/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
(3)InChIKey: ANPKYBKHXNFMFD-UHFFFAOYSA-N