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20958-17-2

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Basic Information
CAS No.: 20958-17-2
Name: 4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione
Article Data: 1
Molecular Structure:
Molecular Structure of 20958-17-2 (4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione)
Formula: C18H12O3
Molecular Weight: 276.291
Synonyms: Phenanthro[3,2-b]furan-7,11-dione,4,8- dimethyl-;
Density: 1.324 g/cm3
Melting Point: 219 °C
Boiling Point: 495.8 °C at 760 mmHg
Flash Point: 244.7 °C
PSA: 47.28000
LogP: 3.82500
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Specification

The Isotanshinone I is an organic compound with the formula C18H12O3. The systematic name of this chemical is 4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione. With the CAS registry number 20958-17-2, it is also named as Phenanthro[3,2-b]furan-7,11-dione, 4,8-dimethyl-. Besides, its molecular weight is 276.2861.

Physical properties about Isotanshinone I are: (1)ACD/LogP: 4.70; (2)ACD/LogD (pH 5.5): 4.7; (3)ACD/LogD (pH 7.4): 4.7; (4)ACD/BCF (pH 5.5): 2183.88; (5)ACD/BCF (pH 7.4): 2183.88; (6)ACD/KOC (pH 5.5): 8547.06; (7)ACD/KOC (pH 7.4): 8547.06; (8)#H bond acceptors: 3; (9)Polar Surface Area: 47.28 Å2; (10)Index of Refraction: 1.676; (11)Molar Refractivity: 78.46 cm3; (12)Molar Volume: 208.5 cm3; (13)Polarizability: 31.1×10-24 cm3; (14)Surface Tension: 56.4 dyne/cm; (15)Density: 1.324 g/cm3; (16)Flash Point: 244.7 °C; (17)Enthalpy of Vaporization: 76.35 kJ/mol; (18)Boiling Point: 495.8 °C at 760 mmHg; (19)Vapour Pressure: 5.71E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-8H,1-2H3
(2)InChIKey: XYKZSUXWBGUGQV-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-8H,1-2H3
(4)Std. InChIKey: XYKZSUXWBGUGQV-UHFFFAOYSA-N