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Home > Indoles and Oxindole > 14006-70-3
14006-70-3 | 1-Propanone, 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)-
CAS No: 14006-70-3 Catalog No: AG001BZJ MDL No:
Product Description
Catalog Number:
AG001BZJ
Chemical Name:
1-Propanone, 3-(1H-indol-3-yl)-1-(4-methoxyphenyl)-
CAS Number:
14006-70-3
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C18H17NO2/c1-21-15-9-6-13(7-10-15)18(20)11-8-14-12-19-17-5-3-2-4-16(14)17/h2-7,9-10,12,19H,8,11H2,1H3
InChI Key:
IFQURQOSVQLULJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CCc1c[nH]c2c1cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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