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2-Furancarboxylic acid,tetrahydro-5-oxo-, (2R)-

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Name

2-Furancarboxylic acid,tetrahydro-5-oxo-, (2R)-

EINECS N/A
CAS No. 53558-93-3 Density 1.469 g/cm3
PSA 63.60000 LogP -0.22340
Solubility N/A Melting Point 71-73 °C(lit.)
Formula C5H6O4 Boiling Point 384.2 °C at 760 mmHg
Molecular Weight 130.1 Flash Point 184.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53558-93-3 ((R)-(-)-5-OXOTETRAHYDROFURAN-2-CARBOXYLIC ACID) Hazard Symbols Xi
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

Article Data 2

2-Furancarboxylic acid,tetrahydro-5-oxo-, (2R)- 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

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