Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol,(1R,2S,3R,4S)-rel- CAS NO.699-97-8

1. Introduction ofBicyclo[2.2.1]hept-5-ene-2,3-dimethanol,(1R,2S,3R,4S)-rel-

The Bicyclo[2.2.1]he…

1. Introduction of Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol,(1R,2S,3R,4S)-rel-

 

The Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol,(1R,2S,3R,4S)-rel-, with its CAS NO 699-97-8, it has synonyms of 5-Norbornene-2,3-dimethanol,endo,endo- (8CI);Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, (endo,endo)-;5-Norbornene-2,3-endo-dimethanol and 5-endo,6-endo-Bis(hydroxymethyl)bicyclo[2.2.1]hept-2-ene. Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol,(1R,2S,3R,4S)-rel- should be stored in shady and cool warehouse.

 

2. Properties of Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol,(1R,2S,3R,4S)-rel-

 

(1) XLogP3-AA 0.4  (2) H-Bond Donor 2  (3) H-Bond Acceptor 2
(4) Rotatable Bond Count 2  (5) Exact Mass 154.09938  (6) MonoIsotopic Mass 154.09938
(7) Topological Polar Surface Area 40.5  (8) Heavy Atom Count 11
(9) Complexity 158  (10) Undefined Atom Stereocenter Count 4  (11) Covalently-Bonded Unit Count 1
(12) Feature 3D Acceptor Count 2  (13) Feature 3D Donor Count 2 (14) Feature 3D Ring Count 1
(15) Effective Rotor Count 2.6  (16) Conformer Sampling RMSD 0.6
(17) CID Conformer Count 13
 

3. Structure descriptors of Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol,(1R,2S,3R,4S)-rel-

 

IUPAC Name: [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

InChI: InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2

InChIKey: IGHHPVIMEQGKNE-UHFFFAOYSA-NCanonical SMILES : C1C2C=CC1C(C2CO)CO