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105246-83-1 | Cyclopent[b]indole, 8b-ethoxy-1,2,3,3a,4,8b-hexahydro-3a-phenyl-
CAS No: 105246-83-1 Catalog No: AG007F7E MDL No:
Product Description
Catalog Number:
AG007F7E
Chemical Name:
Cyclopent[b]indole, 8b-ethoxy-1,2,3,3a,4,8b-hexahydro-3a-phenyl-
CAS Number:
105246-83-1
Molecular Formula:
C19H21NO
Molecular Weight:
279.3761
IUPAC Name:
8b-ethoxy-3a-phenyl-1,2,3,4-tetrahydrocyclopenta[b]indole
InChI:
InChI=1S/C19H21NO/c1-2-21-19-14-8-13-18(19,15-9-4-3-5-10-15)20-17-12-7-6-11-16(17)19/h3-7,9-12,20H,2,8,13-14H2,1H3
InChI Key:
HSPFCTAEVAZMPX-UHFFFAOYSA-N
SMILES:
CCOC12CCCC2(Nc2c1cccc2)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.383g/mol
Monoisotopic Mass:
279.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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