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Home > Indoles and Oxindole > 112122-42-6
112122-42-6 | 1H-Indole, 1-methyl-3-(1-phenylethenyl)-
CAS No: 112122-42-6 Catalog No: AG007CE8 MDL No:
Product Description
Catalog Number:
AG007CE8
Chemical Name:
1H-Indole, 1-methyl-3-(1-phenylethenyl)-
CAS Number:
112122-42-6
Molecular Formula:
C17H15N
Molecular Weight:
233.3077
IUPAC Name:
1-methyl-3-(1-phenylethenyl)indole
InChI:
InChI=1S/C17H15N/c1-13(14-8-4-3-5-9-14)16-12-18(2)17-11-7-6-10-15(16)17/h3-12H,1H2,2H3
InChI Key:
HYMCAIMQJFZAOW-UHFFFAOYSA-N
SMILES:
C=C(c1cn(c2c1cccc2)C)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.314g/mol
Monoisotopic Mass:
233.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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