Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2-methyl ester, (1R,2S,3R,4S)-rel- CAS NO.96185-91-0

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

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

 

The Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2-methyl ester, (1R,2S,3R,4S)-rel-, with its CAS NO 96185-91-0，is a kind of powder. It should be sealed storage in shady and cool warehouse.

 

 

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

 

(1) XLogP3-AA -3.2  (2) H-Bond Donor 3 (3) H-Bond Acceptor 4
(4) Rotatable Bond Count 3 (5) Tautomer Count 2 (6) Exact Mass 155.069477
(7) MonoIsotopic Mass 155.069477 (8) Topological Polar Surface Area 92 (9) Heavy Atom Count 11
(10) Complexity 151 (11) Undefined Atom Stereocenter Count 1 (12) Covalently-Bonded Unit Count 1
(13) Feature 3D Acceptor Count 2 (14) Feature 3D Donor Count 2 (15) Feature 3D Anion Count 1
(16) Feature 3D Cation Count 2  (17) Feature 3D Ring Count 1  (18) Effective Rotor Count 3
(19) Conformer Sampling RMSD 0.6  (20) CID Conformer Count 27
 

 

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

 

IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid

InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,
11)InChIKey: HNDVDQJCIGZPNO-UHFFFAOYSA-N

Canonical SMILES : C1=C(NC=N1)CC(C(=O)O)N