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67656-29-5

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Basic Information
CAS No.: 67656-29-5
Name: methylenetanshinquinone
Molecular Structure:
Molecular Structure of 67656-29-5 (methylenetanshinquinone)
Formula: C18H14O3
Molecular Weight: 278.302
Synonyms: Methylenetanshinquinone;Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1-methyl-6-methylene-;methylene-;
Density: 1.3 g/cm3
Boiling Point: 502.9 °C at 760 mmHg
Flash Point: 248.6 °C
PSA: 47.28000
LogP: 3.98350
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Specification

The Tanshinquinone, methylene-, with the CAS registry number 67656-29-5, is also known as Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1-methyl-6-methylene-. This chemical's molecular formula is C18H14O3 and molecular weight is 278.302. Its systematic name is called 1-methyl-6-methylidene-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione.

Physical properties of Tanshinquinone, methylene-: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 4.44; (3)ACD/LogD (pH 7.4): 4.44; (4)ACD/BCF (pH 5.5): 1393.51; (5)ACD/BCF (pH 7.4): 1393.51; (6)ACD/KOC (pH 5.5): 6196.58; (7)ACD/KOC (pH 7.4): 6196.58; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.639; (10)Molar Refractivity: 76.64 cm3; (11)Molar Volume: 212.7 cm3; (12)Surface Tension: 55.6 dyne/cm; (13)Density: 1.3 g/cm3; (14)Flash Point: 248.6 °C; (15)Enthalpy of Vaporization: 77.2 kJ/mol; (16)Boiling Point: 502.9 °C at 760 mmHg; (17)Vapour Pressure: 3.06E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c4c(ccc1c3occ(c3C2=O)C)\C(=C)CCC4
(2)InChI: InChI=1/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h6-8H,1,3-5H2,2H3
(3)InChIKey: QDFFAXSMLUUJSG-UHFFFAOYAT