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Home > Indoles and Oxindole > 4837-74-5
4837-74-5 | 2-(4-Methoxy-1H-indol-3-yl)acetonitrile
CAS No: 4837-74-5 Catalog No: AG006WU2 MDL No:MFCD09751226
Product Description
Catalog Number:
AG006WU2
Chemical Name:
2-(4-Methoxy-1H-indol-3-yl)acetonitrile
CAS Number:
4837-74-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD09751226
IUPAC Name:
2-(4-methoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5H2,1H3
InChI Key:
DHOVDDVYXBMXDM-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(OC)ccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Anti-inflammatory effects of 7-hydroxyl-1-methylindole-3-acetonitrile, a synthetic arvelexin derivative, on the macrophages through destabilizing mPGES-1 mRNA and suppressing NF-κB activation. | Chemico-biological interactions 20141205 |
| Alkaloids from the root of Isatis indigotica. | Journal of natural products 20120622 |
| 2-(4-Meth-oxy-1H-indol-3-yl)acetonitrile. | Acta crystallographica. Section E, Structure reports online 20120101 |
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