5-Norbornene-2-carboxylic t-butyl ester CAS NO.154970-45-3

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 1. Introduction of tert-Butyl 5-norbornene-2-carboxylate

The tert-Butyl 5-norbornene-2-carboxylate, with its CAS NO 154970-45-3, is a kind of colorless liquid. It has synonyms of 5-tert-Butoxycarbonylbicyclo[2.2.1]hept-2-ene and Bicyclo[2,2,1 ]hept-5-ene-2-tert-butylcarboxylate. The tert-Butyl 5-norbornene-2-carboxylate should be stored in shady and cool warehouse.

2. Properties of tert-Butyl 5-norbornene-2-carboxylate

(1) XLogP3-AA 2.5   (2) H-Bond Acceptor 2  (3) Rotatable Bond Count 3 
(4) Exact Mass 194.13068 (5) MonoIsotopic Mass 194.13068 (6) Topological Polar Surface Area 26.3 
(7) Heavy Atom Count 14 (8) Complexity 273 (9) Undefined Atom Stereocenter Count 3 
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D Acceptor Count 1 (12) Feature 3D Hydrophobe Count 1 
(13) Feature 3D Ring Count 1 (14) Effective Rotor Count 3.6 (15) Conformer Sampling RMSD 0.6 
(16) CID Conformer Count 40

3. Structure descriptors of tert-Butyl 5-norbornene-2-carboxylate

IUPAC Name: tert-butyl bicyclo[2.2.1]hept-2-ene-5-carboxylate

InChI: InChI=1S/C12H18O2/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,
6-7H2,1-3H3

InChIKey: BZBMBZJUNPMEBD-UHFFFAOYSA-N

Canonical SMILES : CC(C)(C)OC(=O)C1CC2CC1C=C2