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Home > Indoles and Oxindole > 178396-18-4
178396-18-4 | 1H-Indole-5-carbonitrile, 7-methyl-
CAS No: 178396-18-4 Catalog No: AG0025Z7 MDL No:
Product Description
Catalog Number:
AG0025Z7
Chemical Name:
1H-Indole-5-carbonitrile, 7-methyl-
CAS Number:
178396-18-4
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
IUPAC Name:
7-methyl-1H-indole-5-carbonitrile
InChI:
InChI=1S/C10H8N2/c1-7-4-8(6-11)5-9-2-3-12-10(7)9/h2-5,12H,1H3
InChI Key:
WPZQMOCKZZEQTA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c2c(c1)cc[nH]2
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:
2.1
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