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Home > Indoles and Oxindole > 16886-09-2
16886-09-2 | 1H-Indole, 3-(2-propen-1-yl)-
CAS No: 16886-09-2 Catalog No: AG001YCK MDL No:MFCD08361736
Product Description
Catalog Number:
AG001YCK
Chemical Name:
1H-Indole, 3-(2-propen-1-yl)-
CAS Number:
16886-09-2
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD08361736
IUPAC Name:
3-prop-2-enyl-1H-indole
InChI:
InChI=1S/C11H11N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-4,6-8,12H,1,5H2
InChI Key:
UWJLKFQVYFDQEQ-UHFFFAOYSA-N
SMILES:
C=CCc1c[nH]c2c1cccc2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| (E)-N,N'-Bis[2-(5-bromo-1H-indol-3-yl)eth-yl]-N,N'-(but-2-ene-1,4-di-yl)bis-(4-methyl-benzene-sulfonamide). | Acta crystallographica. Section E, Structure reports online 20111101 |
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