Methyl 3-methylisonicotinate supplier

Name
METHYL 3-METHYL-4-PYRIDINECARBOXYLATE
EINECS
CAS No. 116985-92-3
Article Data7
CAS DataBase
Density 1.105 g/cm³
Solubility
Melting Point
Formula C₈H₉NO₂
Boiling Point 221.062 °C at 760 mmHg
Molecular Weight 151.165
Flash Point 87.495 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinecarboxylicacid, 3-methyl-, methyl ester;
PSA 39.19000
LogP 1.17660

Methyl 3-methylisonicotinate Specification

The Methyl 3-methylisonicotinate, with the CAS registry number 116985-92-3, is also known as 4-Pyridinecarboxylicacid, 3-methyl-, methyl ester. It belongs to the product categories of Carboxylicester; Pharmacetical. This chemical's molecular formula is C₈H₉NO₂and molecular weight is 151.16. What's more, its IUPAC name is Methyl 3-methylpyridine-4-carboxylate.

Physical properties about Methyl 3-methylisonicotinate are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.071; (4)ACD/LogD (pH 7.4): 1.074; (5)ACD/BCF (pH 5.5): 3.829; (6)ACD/BCF (pH 7.4): 3.859; (7)ACD/KOC (pH 5.5): 90.779; (8)ACD/KOC (pH 7.4): 91.503; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 40.942 cm³; (15)Molar Volume: 136.825 cm³; (16)Polarizability: 16.231×10^-24 cm³; (17)Surface Tension: 39.916 dyne/cm; (18)Density: 1.105 g/cm³; (19)Flash Point: 87.495 °C; (20)Enthalpy of Vaporization: 45.75 kJ/mol; (21)Boiling Point: 221.062 °C at 760 mmHg; (22)Vapour Pressure: 0.109 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cnccc1C(=O)OC
(2) InChI: InChI=1/C8H9NO2/c1-6-5-9-4-3-7(6)8(10)11-2/h3-5H,1-2H3
(3) InChIKey: UWOZODSMOOALPG-UHFFFAOYAB

Product Name

METHYL 3-METHYL-4-PYRIDINECARBOXYLATE

Methyl 3-methylisonicotinate Specification

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