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115956-04-2

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Basic Information
CAS No.: 115956-04-2
Name: 7-Ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol
Article Data: 6
Molecular Structure:
Molecular Structure of 115956-04-2 (7-Ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol)
Formula: C15H25NO5
Molecular Weight: 299.367
Synonyms: 7-ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol;3-(Ethoxycarbonyl)-7-hydroxy-9-azabicyclo[3.3.1]nonane-9-acetic acid ethyl ester;9-Azabicyclo[3.3.1]Nonane-9-Acetic Acid, 3-(Ethoxycarbonyl)-7-Hydroxy-, Ethyl Ester;7-ETHOXYCARBONYL-9-(ETHOXYCARBONYLMETHYL)-9-AZABICYCLO[3,3,1]NONANE-3-OL
EINECS: 200-252-3
Density: 1.165 g/cm3
Melting Point: 330℃
Boiling Point: 412.98 °C at 760 mmHg
Flash Point: 203.563 °C
Solubility: INSOLUBLE
Hazard Symbols: R22:; R40:;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
PSA: 76.07000
LogP: 0.65440
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Specification

The 7-Ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol with its cas register number is 115956-04-2. It also can be called as 3-(Ethoxycarbonyl)-7-hydroxy-9-azabicyclo[3.3.1]nonane-9-acetic acid ethyl ester and the Systematic name about this chemical is ethyl 9-(2-ethoxy-2-oxoethyl)-7-hydroxy-9-azabicyclo[3.3.1]nonane-3-carboxylate. 

Physical properties about 7-Ethoxycarbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3,3,1]nonan-3-ol are: (1)ACD/LogP:0.49; (2)#H bond acceptors:6; (3)#H bond donors:1; (4)#Freely Rotating Bonds:8; (5)Polar Surface Area:76.07Å2; (6)Index of Refraction:1.504; (7)Molar Refractivity:76.054 cm3; (8)Molar Volume:256.925 cm3; (9)Polarizability:30.15x10-24cm3; (10)Surface Tension:43.037 dyne/cm; (11)Enthalpy of Vaporization:76.91 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CC2N(C(C1)CC(O)C2)CC(=O)OCC
(2)InChI: InChI=1/C15H25NO5/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11/h10-13,17H,3-9H2,1-2H3
(3)InChIKey: WCDRGGYHUBTALP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H25NO5/c1-3-20-14(18)9-16-11-5-10(15(19)21-4-2)6-12(16)8-13(17)7-11/h10-13,17H,3-9H2,1-2H3
(5)Std. InChIKey: WCDRGGYHUBTALP-UHFFFAOYSA-N