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1438-92-2

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Basic Information
CAS No.: 1438-92-2
Name: 1-(2-furyl)propane-1,2-dione
Article Data: 4
Molecular Structure:
Molecular Structure of 1438-92-2 (1-(2-furyl)propane-1,2-dione)
Formula: C7H6O3
Molecular Weight: 138.123
Synonyms: 1,2-Propanedione,1-(2-furyl)- (7CI,8CI);1-(2-Furanyl)-1,2-propanedione;1-(2-Furyl)-1,2-propanedione;1-(2'-Furyl)propane-1,2-dione;1-(Furan-2-yl)propane-1,2-dione;
EINECS: 215-875-6
Density: 1.176 g/cm3
Boiling Point: 198.8 °C at 760 mmHg
Flash Point: 81.1 °C
PSA: 47.28000
LogP: 1.05130
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Specification

The 1,2-Propanedione,1-(2-furanyl)-, with the CAS registry number 1438-92-2, is also known as 1-(2-Furyl)propane-1,2-dione. Its EINECS number is 215-875-6. This chemical's molecular formula is C7H6O3 and molecular weight is 138.12. What's more, its systematic name is 1-(Furan-2-yl)propane-1,2-dione.

Physical properties of 1,2-Propanedione,1-(2-furanyl)- are: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.19; (8)ACD/KOC (pH 7.4): 23.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.28 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 33.24 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 13.17×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.176 g/cm3; (19)Flash Point: 81.1 °C; (20)Enthalpy of Vaporization: 43.5 kJ/mol; (21)Boiling Point: 198.8 °C at 760 mmHg; (22)Vapour Pressure: 0.354 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)c1occc1)C
(2)InChI: InChI=1S/C7H6O3/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3
(3)InChIKey: JXZJRYDTSDCGLO-UHFFFAOYSA-N