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23690-49-5 | 1H-Indole-5-acetonitrile
CAS No: 23690-49-5 Catalog No: AG002O5Y MDL No:MFCD09263862
Product Description
Catalog Number:
AG002O5Y
Chemical Name:
1H-Indole-5-acetonitrile
CAS Number:
23690-49-5
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
MDL Number:
MFCD09263862
IUPAC Name:
2-(1H-indol-5-yl)acetonitrile
InChI:
InChI=1S/C10H8N2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,12H,3H2
InChI Key:
OXUQBDQMQTZQPK-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)cc[nH]2
Properties
Complexity:
203
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:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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