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| CAS No.: | 343238-58-4 |
|---|---|
| Name: | azetidine-3-carboxylic acid methyl ester |
| Molecular Structure: | |
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| Formula: | C5H9NO2 |
| Molecular Weight: | 115.132 |
| Synonyms: | Methylazetidine-3-carboxylate; |
| Density: | 1.1 g/cm3 |
| Boiling Point: | 144.7 °C at 760 mmHg |
| Flash Point: | 41.3 °C |
| PSA: | 38.33000 |
| LogP: | -0.29240 |
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Specification
The 3-Azetidinecarboxylicacid, methyl ester, with the CAS registry number 343238-58-4, is also known as 3-Azetidinecarboxylic acid, methyl ester. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.1305. What's more, its systematic name is Methyl azetidine-3-carboxylate.
Physical properties about 3-Azetidinecarboxylicacid, methyl ester are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.33 Å2; (10)Index of Refraction: 1.45; (11)Molar Refractivity: 28.13 cm3; (12)Molar Volume: 104.6 cm3; (13)Polarizability: 11.15×10-24 cm3; (14)Surface Tension: 33.8 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 41.3 °C; (17)Enthalpy of Vaporization: 38.17 kJ/mol; (18)Boiling Point: 144.7 °C at 760 mmHg; (19)Vapour Pressure: 5.04 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C1CNC1
(2) InChI: InChI=1/C5H9NO2/c1-8-5(7)4-2-6-3-4/h4,6H,2-3H2,1H3
(3) InChIKey: WGEYNHXHVVYOSK-UHFFFAOYAN