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Home > Indoles and Oxindole > 128305-38-4
128305-38-4 | 1H-Indole-2-carbonitrile, 1-acetyl-2,3-dihydro-
CAS No: 128305-38-4 Catalog No: AG000XYR MDL No:
Product Description
Catalog Number:
AG000XYR
Chemical Name:
1H-Indole-2-carbonitrile, 1-acetyl-2,3-dihydro-
CAS Number:
128305-38-4
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
1-acetyl-2,3-dihydroindole-2-carbonitrile
InChI:
InChI=1S/C11H10N2O/c1-8(14)13-10(7-12)6-9-4-2-3-5-11(9)13/h2-5,10H,6H2,1H3
InChI Key:
NXYPOKMZHWMSMD-UHFFFAOYSA-N
SMILES:
N#CC1Cc2c(N1C(=O)C)cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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