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| CAS No.: | 168395-26-4 |
|---|---|
| Name: | (S)-Tetrahydro-3-furancarboxylic acid |
| Molecular Structure: | |
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| Formula: | C5H8O3 |
| Molecular Weight: | 116.117 |
| Synonyms: | 3-Furancarboxylicacid, tetrahydro-, (S)-;(S)-Tetrahydro-3-furoic acid;(S)-Tetrahydrofuran-3-carboxylic acid; |
| Density: | 1.262 g/cm3 |
| Boiling Point: | 252.108 °C at 760 mmHg |
| Flash Point: | 113.211 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 46.53000 |
| LogP: | 0.10750 |
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Specification
The 3-Furancarboxylic acid,tetrahydro-, (3S)-, with CAS registry number 168395-26-4, belongs to the following product category: API intermediates. It has the systematic name of (3S)-tetrahydrofuran-3-carboxylic acid. And the chemical formula of this chemical is C5H8O3.
Physical properties of 3-Furancarboxylic acid,tetrahydro-, (3S)-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 46.53 Å2; (6)Index of Refraction: 1.48; (7)Molar Refractivity: 26.15 cm3; (8)Molar Volume: 92 cm3; (9)Polarizability: 10.37×10-24cm3; (10)Surface Tension: 47.1 dyne/cm; (11)Density: 1.262 g/cm3; (12)Flash Point: 113.2 °C; (13)Enthalpy of Vaporization: 53.89 kJ/mol; (14)Boiling Point: 252.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00618 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H]1COCC1
(2)InChI: InChI=1/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
(3)InChIKey: BOTREHHXSQGWTR-BYPYZUCNBK
(4)Std. InChI: InChI=1S/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
(5)Std. InChIKey: BOTREHHXSQGWTR-BYPYZUCNSA-N