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115661-82-0 | 1H-Indole-7-carbonitrile, 2,3-dihydro-
CAS No: 115661-82-0 Catalog No: AG000GP5 MDL No:MFCD01830669
Product Description
Catalog Number:
AG000GP5
Chemical Name:
1H-Indole-7-carbonitrile, 2,3-dihydro-
CAS Number:
115661-82-0
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD01830669
IUPAC Name:
2,3-dihydro-1H-indole-7-carbonitrile
InChI:
InChI=1S/C9H8N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3,11H,4-5H2
InChI Key:
YABRSQUYXZGQBW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1NCC2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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