Products Categories
CAS No.: | 85806-67-3 |
---|---|
Name: | 2-METHYL-OXAZOLE-4-CARBOXYLIC ACID METHYL ESTER |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C6H7NO3 |
Molecular Weight: | 141.126 |
Synonyms: | 2-Methyl-4-oxazolecarboxylicacid methyl ester;Methyl 2-methyl-1,3-oxazole-4-carboxylate;Methyl2-methyloxazole-4-carboxylate; |
Density: | 1.18 g/cm3 |
Melting Point: | 56-60℃ |
Boiling Point: | 191.052 °C at 760 mmHg |
Flash Point: | 69.346 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-52/53 |
Safety: | 26-61 |
PSA: | 52.33000 |
LogP: | 0.76960 |
What can I do for you?
Get Best Price
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