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Home > Indoles and Oxindole > 101205-17-8
101205-17-8 | 1H-Indole-1-propanenitrile, 5-methyl-3-phenyl-
CAS No: 101205-17-8 Catalog No: AG0003YD MDL No:
Product Description
Catalog Number:
AG0003YD
Chemical Name:
1H-Indole-1-propanenitrile, 5-methyl-3-phenyl-
CAS Number:
101205-17-8
Molecular Formula:
C18H16N2
Molecular Weight:
260.3330
IUPAC Name:
3-(5-methyl-3-phenylindol-1-yl)propanenitrile
InChI:
InChI=1S/C18H16N2/c1-14-8-9-18-16(12-14)17(13-20(18)11-5-10-19)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3
InChI Key:
XZJXNULOAZCVAY-UHFFFAOYSA-N
SMILES:
N#CCCn1cc(c2c1ccc(c2)C)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.34g/mol
Monoisotopic Mass:
260.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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