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20087-05-2

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Basic Information
CAS No.: 20087-05-2
Name: Dihydrogriesenin
Molecular Structure:
Molecular Structure of 20087-05-2 (Dihydrogriesenin)
Formula: C15H18O4
Molecular Weight: 262.301
Synonyms: 10H-8,10a-Epoxy-2H-furo(3,2:5,6)cyclohept(1,2-c)oxepin-2-one, 3,3a,4,6,7,8,11,11a-octahydro-8-methyl-3-methylene-;8-methyl-3-methylidene-3,3a,4,6,7,8,11,11a-octahydro-2H-8,10a-epoxyfuro[3',2':5,6]cyclohepta[1,2-c]oxepin-2(10H)-one;
Density: 1.26 g/cm3
Boiling Point: 451.8 °C at 760 mmHg
Flash Point: 203.3 °C
PSA: 44.76000
LogP: 2.10000
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Specification

The CAS register number of Dihydrogriesenin is 20087-05-2. It also can be called as 10H-8,10a-Epoxy-2H-furo(3',2':5,6)cyclohept(1,2-c)oxepin-2-one, 3,3a,4,6,7,8,11,11a-octahydro-8-methyl-3-methylene- and the systematic name about this chemical is 8-methyl-3-methylidene-3,3a,4,6,7,8,11,11a-octahydro-2H-8,10a-epoxyfuro[3',2':5,6]cyclohepta[1,2-c]oxepin-2(10H)-one. The molecular formula about this chemical is C15H18O4 and the molecular weight is 262.301.

Physical properties about Dihydrogriesenin are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.42; (5)ACD/BCF (pH 7.4): 9.42; (6)ACD/KOC (pH 5.5): 173.27; (7)ACD/KOC (pH 7.4): 173.27; (8)#H bond acceptors: 4; (9)Polar Surface Area: 44.76Å2; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 67.86 cm3; (12)Molar Volume: 206.8 cm3; (13)Polarizability: 26.9x10-24cm3; (14)Surface Tension: 45.3 dyne/cm; (15)Flash Point: 203.3 °C; (16)Enthalpy of Vaporization: 71.09 kJ/mol; (17)Boiling Point: 451.8 °C at 760 mmHg; (18)Vapour Pressure: 2.37E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2OC3CC41OC(OC1)(CC/C4=C/CC3C\2=C)C
(2)InChI: InChI=1/C15H18O4/c1-9-11-4-3-10-5-6-14(2)17-8-15(10,19-14)7-12(11)18-13(9)16/h3,11-12H,1,4-8H2,2H3
(3)InChIKey: QOWDVJAIJZLWBJ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C15H18O4/c1-9-11-4-3-10-5-6-14(2)17-8-15(10,19-14)7-12(11)18-13(9)16/h3,11-12H,1,4-8H2,2H3
(5)Std. InChIKey: QOWDVJAIJZLWBJ-UHFFFAOYSA-N