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Home > Indoles and Oxindole > 1167056-33-8
1167056-33-8 | 1H-Indole-6-carbonitrile, 4-methoxy-7-methyl-
CAS No: 1167056-33-8 Catalog No: AG000D39 MDL No:
Product Description
Catalog Number:
AG000D39
Chemical Name:
1H-Indole-6-carbonitrile, 4-methoxy-7-methyl-
CAS Number:
1167056-33-8
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
4-methoxy-7-methyl-1H-indole-6-carbonitrile
InChI:
InChI=1S/C11H10N2O/c1-7-8(6-12)5-10(14-2)9-3-4-13-11(7)9/h3-5,13H,1-2H3
InChI Key:
GHAXLEIIZJXIAP-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(c2c1cc[nH]2)C
Properties
Complexity:
257
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:
1
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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