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Home > Indoles and Oxindole > 828252-60-4
828252-60-4 | 1H-Indole, 2,3,5,6,7,7a-hexahydro-1-[(1S)-1-phenylethyl]-
CAS No: 828252-60-4 Catalog No: AG004T3I MDL No:
Product Description
Catalog Number:
AG004T3I
Chemical Name:
1H-Indole, 2,3,5,6,7,7a-hexahydro-1-[(1S)-1-phenylethyl]-
CAS Number:
828252-60-4
Molecular Formula:
C16H21N
Molecular Weight:
227.3446
IUPAC Name:
1-[(1S)-1-phenylethyl]-2,3,5,6,7,7a-hexahydroindole
InChI:
InChI=1S/C16H21N/c1-13(14-7-3-2-4-8-14)17-12-11-15-9-5-6-10-16(15)17/h2-4,7-9,13,16H,5-6,10-12H2,1H3/t13-,16?/m0/s1
InChI Key:
DDSVKGFQOKCULJ-KNVGNIICSA-N
SMILES:
C[C@H](N1CCC2=CCCCC12)c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.351g/mol
Monoisotopic Mass:
227.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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