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Home > Indoles and Oxindole > 89718-69-4
89718-69-4 | 2H-Benz[g]indole, 3,3a,4,5-tetrahydro-3-phenyl-
CAS No: 89718-69-4 Catalog No: AG0042BF MDL No:
Product Description
Catalog Number:
AG0042BF
Chemical Name:
2H-Benz[g]indole, 3,3a,4,5-tetrahydro-3-phenyl-
CAS Number:
89718-69-4
Molecular Formula:
C18H17N
Molecular Weight:
247.3343
IUPAC Name:
3-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indole
InChI:
InChI=1S/C18H17N/c1-2-6-13(7-3-1)17-12-19-18-15-9-5-4-8-14(15)10-11-16(17)18/h1-9,16-17H,10-12H2
InChI Key:
NHKYJKMQENCLED-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1CN=C2C1CCc1c2cccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.341g/mol
Monoisotopic Mass:
247.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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