Name: (R)-(-)-5-OXOTETRAHYDROFURAN-2-CARBOXYLIC ACID
SKU: 53558-93-3

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Basic Information

Molecular Structure:
CAS No.:	53558-93-3
Name:	(R)-(-)-5-OXOTETRAHYDROFURAN-2-CARBOXYLIC ACID
Article Data:	2

Formula:	C₅H₆O₄
Molecular Weight:	130.1
Synonyms:	(theta)-2-furancarboxylicaci;(R)-(-)-GAMMA-CARBOXY-GAMMA-BUTYROLACTONE;(R)-GAMMA-CARBOXY-GAMMA-BUTYROLACTONE;(R)-(-)-5-OXOTETRAHYDROFURAN-2-CARBOXYLIC ACID;(R)-5-OXOTETRAHYDROFURAN-2-CARBOXYLIC ACID;(R)-(-)-5-OXO-2-TETRAHYDROFURANCARBOXYLIC ACID;(R)-(-)-5-OXO-2-TETRAHYDROFUROIC ACID;(R)-(-)-TETRAHYDRO-5-OXO-2-FURANECARBOXYLIC ACID
Density:	1.469 g/cm³
Melting Point:	71-73 °C(lit.)
Boiling Point:	384.2 °C at 760 mmHg
Flash Point:	184.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	63.60000
LogP:	-0.22340

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Specification

The 2-Furancarboxylic acid,tetrahydro-5-oxo-, (2R)-, with the CAS registry number 53558-93-3, has the systematic name of (2R)-5-oxotetrahydrofuran-2-carboxylic acid. It is a kind of white crystalline powder, and belongs to the following product categories: Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry. And the molecular formula of this chemical is C₅H₆O₄.

The physical properties of 2-Furancarboxylic acid,tetrahydro-5-oxo-, (2R)- are as following: (1)ACD/LogP: -1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.77; (4)ACD/LogD (pH 7.4): -5.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 26.29 cm³; (15)Molar Volume: 88.5 cm³; (16)Polarizability: 10.42×10^-24cm³; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.469 g/cm³; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 69.48 kJ/mol; (21)Boiling Point: 384.2 °C at 760 mmHg; (22)Vapour Pressure: 5.71E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]1OC(=O)CC1
(2)InChI: InChI=1/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1
(3)InChIKey: QVADRSWDTZDDGR-GSVOUGTGBP