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CAS No.: | 15905-18-7 |
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Name: | Methyl nicotinate 1-oxide |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C7H7NO3 |
Molecular Weight: | 153.137 |
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; |
EINECS: | 240-045-5 |
Density: | 1.2 g/cm3 |
Boiling Point: | 340.5 °C at 760 mmHg |
Flash Point: | 159.7 °C |
PSA: | 51.76000 |
LogP: | 0.90170 |
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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