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5694-68-8

Basic Information
CAS No.: 5694-68-8
Name: 2-HYDROXYMETHYL-1,3-DIOXOLANE
Article Data: 13
Molecular Structure:
Molecular Structure of 5694-68-8 (2-HYDROXYMETHYL-1,3-DIOXOLANE)
Formula: C4H8O3
Molecular Weight: 104.106
Synonyms: (1,3-Dioxolan-2-yl)methanol;2-(Hydroxymethyl)-1,3-dioxolane;Acetaldehyde, hydroxy-, cyclic 1,2-ethanediylacetal;NSC 163968;
Density: 1.164 g/cm3
Boiling Point: 174.2 °C at 760 mmHg
Flash Point: 76.1 °C
PSA: 38.69000
LogP: -0.64840
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Specification

The 1,3-Dioxolane-2-methanol, with the CAS registry number 5694-68-8, is also known as 1,3-Dioxolan-2-ylmethan-1-ol. This chemical's molecular formula is C4H8O3 and molecular weight is 104.10452. Its IUPAC name is called 1,3-dioxolan-2-ylmethanol.

Physical properties of 1,3-Dioxolane-2-methanol: (1)ACD/LogP: -0.64; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.433; (6)Molar Refractivity: 23.27 cm3; (7)Molar Volume: 89.3 cm3; (8)Surface Tension: 44.1 dyne/cm; (9)Density: 1.164 g/cm3; (10)Flash Point: 76.1 °C; (11)Enthalpy of Vaporization: 47.8 kJ/mol; (12)Boiling Point: 174.2 °C at 760 mmHg; (13)Vapour Pressure: 0.38 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC(O1)CO
(2)InChI: InChI=1S/C4H8O3/c5-3-4-6-1-2-7-4/h4-5H,1-3H2
(3)InChIKey: ZAGUSKAXELYWCE-UHFFFAOYSA-N