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Home > Indoles and Oxindole > 86522-53-4
86522-53-4 | 1H-Indole, 3-(2-phenoxyethyl)-
CAS No: 86522-53-4 Catalog No: AG004V7F MDL No:
Product Description
Catalog Number:
AG004V7F
Chemical Name:
1H-Indole, 3-(2-phenoxyethyl)-
CAS Number:
86522-53-4
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
3-(2-phenoxyethyl)-1H-indole
InChI:
InChI=1S/C16H15NO/c1-2-6-14(7-3-1)18-11-10-13-12-17-16-9-5-4-8-15(13)16/h1-9,12,17H,10-11H2
InChI Key:
VLELCEYZLTVYRI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCCc1c[nH]c2c1cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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