Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-Tetrahydro-3-furancarboxylic acid |
EINECS | N/A |
CAS No. | 168395-26-4 | Density | 1.262 g/cm3 |
PSA | 46.53000 | LogP | 0.10750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H8O3 | Boiling Point | 252.108 °C at 760 mmHg |
Molecular Weight | 116.117 | Flash Point | 113.211 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Furancarboxylicacid, tetrahydro-, (S)-;(S)-Tetrahydro-3-furoic acid;(S)-Tetrahydrofuran-3-carboxylic acid; |
Article Data | 2 |
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