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21699-53-6

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Basic Information
CAS No.: 21699-53-6
Name: (+)-Neomatatabiol
Article Data: 5
Molecular Structure:
Molecular Structure of 21699-53-6 ((+)-Neomatatabiol)
Formula: C10H18O2
Molecular Weight: 170.252
Synonyms: Cyclopenta[c]pyran-1-ol,1a,3,4,4aa,5,6,7,7aa-octahydro-4b,7a-dimethyl-, (-)- (8CI);Cyclopenta[c]pyran-1-ol,octahydro-4,7-dimethyl-, [1R-(1a,4b,4aa,7a,7aa)]-;(-)-Neomatatabiol;(1R,4S,4aR,7S,7aR)-Dihydronepetalactol;Neomatatabiol;Neomatatabiol, (-)-;
Density: 1.009 g/cm3
Boiling Point: 251.8 °C at 760mmHg
Flash Point: 98.9 °C
PSA: 29.46000
LogP: 1.63340
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    (+)-NEOMATATABIOLCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The (+)-Neomatatabiol is an organic compound with the formula C10H18O2. The IUPAC name of this product is (1S,4S,4aR,7S,7aR)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol and the CAS registry number is 21699-53-6. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.475; (7)Molar Refractivity: 47.55 cm3; (8)Molar Volume: 168.7 cm3; (9)Polarizability: 18.85×10-24 cm3; (10)Surface Tension: 31.3 dyne/cm; (11)Enthalpy of Vaporization: 56.83 kJ/mol; (12)Boiling Point: 251.8 °C at 760 mmHg; (13)Vapour Pressure: 0.00313 mmHg at 25°C; (14)Exact Mass: 170.13068; (15)MonoIsotopic Mass: 170.13068; (16)Topological Polar Surface Area: 29.5; (17)Heavy Atom Count: 12; (18)Complexity: 169; (19)Defined Atom StereoCenter Count: 5.

People can use the following data to convert to the molecule structure.
1. SMILES: O[C@H]2OC[C@H]([C@H]1CC[C@@H]([C@H]12)C)C;
2. InChI: InChI=1/C10H18O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-11H,3-5H2,1-2H3/t6-,7+,8+,9+,10-/m0/s1.