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Home > Indoles and Oxindole > 13006-59-2
13006-59-2 | 1H-Indole-2-carbonitrile, 3-methyl-
CAS No: 13006-59-2 Catalog No: AG000TYK MDL No:MFCD01652234
Product Description
Catalog Number:
AG000TYK
Chemical Name:
1H-Indole-2-carbonitrile, 3-methyl-
CAS Number:
13006-59-2
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD01652234
IUPAC Name:
3-methyl-1H-indole-2-carbonitrile
InChI:
InChI=1S/C10H8N2/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5,12H,1H3
InChI Key:
XOILSNZVQVLOED-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c2c(c1C)cccc2
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:
2.5
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