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194490-13-6 | 1H-Indole-3-carbonitrile,5-methyl-
CAS No: 194490-13-6 Catalog No: AG007RMX MDL No:
Product Description
Catalog Number:
AG007RMX
Chemical Name:
1H-Indole-3-carbonitrile,5-methyl-
CAS Number:
194490-13-6
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
IUPAC Name:
5-methyl-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H8N2/c1-7-2-3-10-9(4-7)8(5-11)6-12-10/h2-4,6,12H,1H3
InChI Key:
JIQYBYFWPOTTCP-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1cc(C)cc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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