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CAS No.: | 114012-41-8 |
---|---|
Name: | 3-OXETANECARBOXYLIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C4H6O3 |
Molecular Weight: | 102.09 |
Synonyms: | oxetane-3-carboxylic acid;Oxetane-3-carboxylic acid; |
Density: | 1.374 g/cm3 |
Boiling Point: | 244.2 °C at 760 mmHg |
Flash Point: | 115.1 °C |
Solubility: | Slightly soluble in water. |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 46.53000 |
LogP: | -0.28260 |
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The 3-Oxetanecarboxylicacid, with the CAS registry number 114012-41-8, has the systematic name of oxetane-3-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool place. And the molecular formula of this chemical is C4H6O3.
The physical properties of 3-Oxetanecarboxylicacid are as followings: (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: 1; (9)Polar Surface Area: 46.53 Å2; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 21.54 cm3; (12)Molar Volume: 74.2 cm3; (13)Polarizability: 8.54×10-24cm3; (14)Surface Tension: 53.6 dyne/cm; (15)Density: 1.374 g/cm3; (16)Flash Point: 115.1 °C; (17)Enthalpy of Vaporization: 53 kJ/mol; (18)Boiling Point: 244.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C1COC1
(2)InChI: InChI=1/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
(3)InChIKey: UWOTZNQZPLAURK-UHFFFAOYAI