3-Oxetanecarboxylicacid supplier

Name
3-OXETANECARBOXYLIC ACID
EINECS
CAS No. 114012-41-8
Article Data5
CAS DataBase
Density 1.374 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₄H₆O₃
Boiling Point 244.2 °C at 760 mmHg
Molecular Weight 102.09
Flash Point 115.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms oxetane-3-carboxylic acid;Oxetane-3-carboxylic acid;
PSA 46.53000
LogP -0.28260

3-Oxetanecarboxylicacid Specification

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

Product Name

3-OXETANECARBOXYLIC ACID

3-Oxetanecarboxylicacid Specification

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