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Home > Indoles and Oxindole > 766535-96-0
766535-96-0 | 1H-Indole-5-carbonitrile, 1-acetyl-
CAS No: 766535-96-0 Catalog No: AG005AOP MDL No:
Product Description
Catalog Number:
AG005AOP
Chemical Name:
1H-Indole-5-carbonitrile, 1-acetyl-
CAS Number:
766535-96-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
1-acetylindole-5-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-8(14)13-5-4-10-6-9(7-12)2-3-11(10)13/h2-6H,1H3
InChI Key:
ARKCHFHZLSGCTJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccn2C(=O)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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