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57203-01-7

Basic Information
CAS No.: 57203-01-7
Name: (S)-(+)-Tetrahydrofurfuryl alcohol
Article Data: 34
Molecular Structure:
Molecular Structure of 57203-01-7 ((S)-(+)-Tetrahydrofurfuryl alcohol)
Formula: C5H10O2
Molecular Weight: 102.133
Synonyms: (S)-Tetrahydrofurfurylalcohol;
EINECS: 202-625-6
Density: 1.038g/cm3
Boiling Point: 176.8 °C at 760 mmHg
Flash Point: 83.9 °C
Hazard Symbols: R36:Irritating to eyes.;
Risk Codes: R36
PSA: 29.46000
LogP: 0.15770
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Specification

The (S)-(+)-Tetrahydrofurfuryl alcohol, with CAS registry number 57203-01-7, belongs to the following product categories: (1)Alcohols, Hydroxy Esters and Derivatives; (2)Chiral Compounds. It has the systematic name of (2S)-tetrahydrofuran-2-ylmethanol. And the chemical formula of this chemical is C5H10O2.

Physical properties of (S)-(+)-Tetrahydrofurfuryl alcohol: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.68; (8)ACD/KOC (pH 7.4): 14.68; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 26.28 cm3; (15)Molar Volume: 98.3 cm3; (16)Polarizability: 10.41×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.038 g/cm3; (19)Flash Point: 83.9 °C; (20)Enthalpy of Vaporization: 48.09 kJ/mol; (21)Boiling Point: 176.8 °C at 760 mmHg; (22)Vapour Pressure: 0.326 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@H]1OCCC1
(2)InChI: InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m0/s1
(3)InChIKey: BSYVTEYKTMYBMK-YFKPBYRVBG
(4)Std. InChI: InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m0/s1
(5)Std. InChIKey: BSYVTEYKTMYBMK-YFKPBYRVSA-N