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Home > Indoles and Oxindole > 88218-46-6
88218-46-6 | Cyclopent[b]indole, 4-ethyl-1,2,3,3a,4,8b-hexahydro-, cis-
CAS No: 88218-46-6 Catalog No: AG004BBB MDL No:
Product Description
Catalog Number:
AG004BBB
Chemical Name:
Cyclopent[b]indole, 4-ethyl-1,2,3,3a,4,8b-hexahydro-, cis-
CAS Number:
88218-46-6
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
(3aR,8bR)-4-ethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
InChI:
InChI=1S/C13H17N/c1-2-14-12-8-4-3-6-10(12)11-7-5-9-13(11)14/h3-4,6,8,11,13H,2,5,7,9H2,1H3/t11-,13-/m1/s1
InChI Key:
ZJOZEEBRRSQUCR-DGCLKSJQSA-N
SMILES:
CCN1c2ccccc2[C@@H]2[C@H]1CCC2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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