Product Name

(1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester Specification

The CAS register number of (1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester is 927679-54-7. It also can be called as (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid and the systematic name about this chemical is (1R,5S)-3-tert-butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Physical properties about (1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester are: (1)ACD/LogP: 0.33; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 66.84Å2; (6)Index of Refraction: 1.537; (7)Molar Refractivity: 55.59 cm3; (8)Molar Volume: 177.9 cm3; (9)Polarizability: 22.04x10-24cm3; (10)Surface Tension: 51 dyne/cm; (11)Enthalpy of Vaporization: 66.03 kJ/mol; (12)Boiling Point: 355.9 °C at 760 mmHg; (13)Vapour Pressure: 5.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O
(2)InChI: InChI=1/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8+
(3)InChIKey: GYEQQDCMLKKYGG-JIGDXULJBD
(4)Std. InChI: InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8+
(5)Std. InChIKey: GYEQQDCMLKKYGG-JIGDXULJSA-N

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