Methyl 2-methyloxazole-4-carboxylate supplier

Name
2-METHYL-OXAZOLE-4-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 85806-67-3
Article Data22
CAS DataBase
Density 1.18 g/cm³
Solubility
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
Appearance
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;
PSA 52.33000
LogP 0.76960

Methyl 2-methyloxazole-4-carboxylate Specification

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

Product Name

2-METHYL-OXAZOLE-4-CARBOXYLIC ACID METHYL ESTER

Methyl 2-methyloxazole-4-carboxylate Specification

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