Arteannuin N supplier | CasNO.207446-92-2

Name
Arteannuin N
EINECS
CAS No. 207446-92-2
Density 1.075 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₂O₃
Boiling Point 412.222 °C at 760 mmHg
Molecular Weight 250.3334
Flash Point 217.258 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Arteannuin N
PSA 54.37000
LogP 2.90470

Arteannuin N Specification

The CAS registry number of Arteannuin N is 207446-92-2. This chemical's molecular formula is C₁₅H₂₂O₃ and molecular weight is 250.3334. What's more, its systematic name is called (2R)-2-[(1R,4R,4aS,8aS)-4,7-Dimethyl-8-oxo-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propanoic acid.

Physical properties about Arteannuin N are: (1)ACD/LogP: 2.57; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 67; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.37Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 68.745 cm³; (15)Molar Volume: 232.929 cm³; (16)Surface Tension: 36.588 dyne/cm; (17)Density: 1.075 g/cm³; (18)Flash Point: 217.258 °C; (19)Enthalpy of Vaporization: 72.938 kJ/mol; (20)Boiling Point: 412.222 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]1C\C=C(\C)C(=O)[C@@H]12
(2) InChI: InChI=1/C15H22O3/c1-8-4-7-12(10(3)15(17)18)13-11(8)6-5-9(2)14(13)16/h5,8,10-13H,4,6-7H2,1-3H3,(H,17,18)/t8-,10-,11+,12+,13+/m1/s1
(3) InChIKey: IYDIAJDXEYNLGO-WSLQDRLSBC

Product Name

Arteannuin N

Arteannuin N Specification

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