Methyl nicotinate 1-oxide supplier

Name
Methyl nicotinate 1-oxide
EINECS 240-045-5
CAS No. 15905-18-7
Article Data25
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₇H₇NO₃
Boiling Point 340.5 °C at 760 mmHg
Molecular Weight 153.137
Flash Point 159.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinicacid, methyl ester, 1-oxide (6CI,7CI,8CI);3-(Methoxycarbonyl)pyridine N-oxide;Methyl 3-pyridinecarboxylate 1-oxide;Methyl nicotinate 1-oxide;Methylnicotinate N-oxide;
PSA 51.76000
LogP 0.90170

Methyl nicotinate 1-oxide Specification

The Methyl nicotinate 1-oxide with the CAS number 15905-18-7 is also called 3-Pyridinecarboxylicacid, methyl ester, 1-oxide. The IUPAC name is methyl 1-oxidopyridin-1-ium-3-carboxylate. Its molecular formula is C₇H₇NO₃. The EINECS registry number is 240-045-5. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Methyl nicotinate 1-oxide are: (1)ACD/LogP: -1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -1.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.14; (8)ACD/KOC (pH 7.4): 5.14; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.41 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 39.11 cm³; (15)Molar Volume: 127.5 cm³; (16)Polarizability: 15.5×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 58.4 kJ/mol; (19)Vapour Pressure: 8.59×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]1cccc(C(=O)OC)c1
(2)InChI: InChI=1/C7H7NO3/c1-11-7(9)6-3-2-4-8(10)5-6/h2-5H,1H3
(3)InChIKey: RVBKAFFMAQAFGK-UHFFFAOYAN

Product Name

Methyl nicotinate 1-oxide

Methyl nicotinate 1-oxide Specification

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