Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-methyloxazole-4-carboxylate |
EINECS | N/A |
CAS No. | 85806-67-3 | Density | 1.18 g/cm3 |
PSA | 52.33000 | LogP | 0.76960 |
Solubility | N/A | Melting Point |
56-60℃ |
Formula | C6H7NO3 | Boiling Point | 191.052 °C at 760 mmHg |
Molecular Weight | 141.126 | Flash Point | 69.346 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-61 | Risk Codes | 36/37/38-52/53 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Methyl-4-oxazolecarboxylicacid methyl ester;Methyl 2-methyl-1,3-oxazole-4-carboxylate;Methyl2-methyloxazole-4-carboxylate; |
Article Data | 22 |
The systematic name of Methyl 2-methyloxazole-4-carboxylate is methyl 2-methyl-1,3-oxazole-4-carboxylate. With the CAS registry number 85806-67-3, it is also named as 2-Methyl-4-oxazolecarboxylicacid methyl ester. The product's categories are Carboxylicester; Building Blocks; Oxazole. In addition, its molecular formula is C6H7NO3 and its molecular weight is 141.12.
The other characteristics of Methyl 2-methyloxazole-4-carboxylate can be summarized as: (1)ACD/LogP: 1.29; (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): 29; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 33.242 cm3; (15)Molar Volume: 119.62 cm3; (16)Polarizability: 13.178×10-24cm3; (17)Surface Tension: 38.463 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 69.346 °C; (20)Enthalpy of Vaporization: 42.725 kJ/mol; (21)Boiling Point: 191.052 °C at 760 mmHg; (22)Vapour Pressure: 0.525 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC)c1nc(oc1)C
(2)InChI: InChI=1/C6H7NO3/c1-4-7-5(3-10-4)6(8)9-2/h3H,1-2H3
(3)InChIKey: NBBUIANVONUUEM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H7NO3/c1-4-7-5(3-10-4)6(8)9-2/h3H,1-2H3
(5)Std. InChIKey: NBBUIANVONUUEM-UHFFFAOYSA-N