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Home > Indoles and Oxindole > 154777-44-3
154777-44-3 | 3-phenyl-octahydro-1H-indole
CAS No: 154777-44-3 Catalog No: AG01AFIY MDL No:MFCD09035109
Product Description
Catalog Number:
AG01AFIY
Chemical Name:
3-phenyl-octahydro-1H-indole
CAS Number:
154777-44-3
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
MDL Number:
MFCD09035109
IUPAC Name:
3-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
InChI:
InChI=1S/C14H19N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-3,6-7,12-15H,4-5,8-10H2
InChI Key:
UWANJFHETVWHSC-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)C(CN2)c1ccccc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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