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Home > Indoles and Oxindole > 858232-97-0
858232-97-0 | (7-methyl-1H-indol-3-yl)acetonitrile
CAS No: 858232-97-0 Catalog No: AG00G73Y MDL No:MFCD04972089
Product Description
Catalog Number:
AG00G73Y
Chemical Name:
(7-methyl-1H-indol-3-yl)acetonitrile
CAS Number:
858232-97-0
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD04972089
IUPAC Name:
2-(7-methyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C11H10N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5H2,1H3
InChI Key:
LLHXXGYXFMACFJ-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1[nH]cc2CC#N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 2-(7-Methyl-1H-indol-3-yl)acetonitrile. | Acta crystallographica. Section E, Structure reports online 20120101 |
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