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Home > Indoles and Oxindole > 23084-36-8
23084-36-8 | 1H-Indole-3-carbonitrile, 5-methoxy-
CAS No: 23084-36-8 Catalog No: AG002M62 MDL No:MFCD06654845
Product Description
Catalog Number:
AG002M62
Chemical Name:
1H-Indole-3-carbonitrile, 5-methoxy-
CAS Number:
23084-36-8
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD06654845
IUPAC Name:
5-methoxy-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H8N2O/c1-13-8-2-3-10-9(4-8)7(5-11)6-12-10/h2-4,6,12H,1H3
InChI Key:
CZFFYXFWPCJEGW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C#N)c[nH]2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| (5-Meth-oxy-1H-indol-3-yl)acetonitrile. | Acta crystallographica. Section E, Structure reports online 20120101 |
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