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74299-48-2

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Basic Information
CAS No.: 74299-48-2
Name: Dehydrocostuslactone
Article Data: 7
Molecular Structure:
Molecular Structure of 74299-48-2 (Dehydrocostuslactone)
Formula: C15H18O2
Molecular Weight: 230.307
Synonyms: 5-Azuleneaceticacid, decahydro-4-hydroxy-a,3,8-trimethylene-, g-lactone (7CI);5-Azuleneacetic acid, decahydro-4-hydroxy-a,3,8-tris(methylene)-, g-lactone (5CI);
Density: 1.09g/cm3
Boiling Point: 383.7 °C at 760 mmHg
Flash Point: 161.2 °C
Appearance: white powder
PSA: 26.30000
LogP: 3.01660
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Specification

The Dehydrocostuslactone with the cas number 74299-48-2 with the cas number 74299-48-2 is also called Azuleno[4,5-b]furan-2(3H)-one,decahydro-3,6,9-tris(methylene)-. The systematic name is (3aS,6aR,9aR,9bS)-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one. Its molecular formula is C15H18O2. This chemical belongs to Sesquiterpenoids..

The properties of the chemical are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 225.25; (6)ACD/BCF (pH 7.4): 225.25; (7)ACD/KOC (pH 5.5): 1681.32; (8)ACD/KOC (pH 7.4): 1681.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 65.76 cm3; (15)Molar Volume: 210.8 cm3; (16)Polarizability: 26.06×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Enthalpy of Vaporization: 63.23 kJ/mol; (19)Vapour Pressure: 4.31×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1O[C@H]3[C@H](C\1=C)CCC(=C)\[C@@H]2CC/C(=C)[C@@H]23
(2)InChI: InChI=1/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
(3)InChIKey: NETSQGRTUNRXEO-XUXIUFHCBX