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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 | 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 |
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