Home Other Building Blocks (2S,3AS,7AS)-TERT-BUTYL OCTAHYDRO-1H-INDOLE-2-CARBOXYLATE

(2S,3AS,7AS)-TERT-BUTYL OCTAHYDRO-1H-INDOLE-2-CARBOXYLATE

CAS No.:
80876-00-2
Catalog Number:
AG01EHZ6
Molecular Formula:
C13H23NO2
Molecular Weight:
225.3272
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Product Description
Catalog Number:
AG01EHZ6
Chemical Name:
(2S,3AS,7AS)-TERT-BUTYL OCTAHYDRO-1H-INDOLE-2-CARBOXYLATE
CAS Number:
80876-00-2
Molecular Formula:
C13H23NO2
Molecular Weight:
225.3272
MDL Number:
MFCD09878904
IUPAC Name:
tert-butyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
InChI:
InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)11-8-9-6-4-5-7-10(9)14-11/h9-11,14H,4-8H2,1-3H3/t9-,10-,11-/m0/s1
InChI Key:
OCFZHGWTHXLDLR-DCAQKATOSA-N
SMILES:
O=C([C@@H]1C[C@H]2[C@@H](N1)CCCC2)OC(C)(C)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
225.173g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.332g/mol
Monoisotopic Mass:
225.173g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties