Name: (S)-Tetrahydro-3-furancarboxylic acid
SKU: 168395-26-4

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Basic Information

Molecular Structure:
CAS No.:	168395-26-4
Name:	(S)-Tetrahydro-3-furancarboxylic acid
Article Data:	2

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