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Home > Indoles and Oxindole > 1314976-35-6
1314976-35-6 | 1H-indole-3,5-dicarbonitrile
CAS No: 1314976-35-6 Catalog No: AG01DEKR MDL No:MFCD07776673
Product Description
Catalog Number:
AG01DEKR
Chemical Name:
1H-indole-3,5-dicarbonitrile
CAS Number:
1314976-35-6
Molecular Formula:
C10H5N3
Molecular Weight:
167.1668
MDL Number:
MFCD07776673
IUPAC Name:
1H-indole-3,5-dicarbonitrile
InChI:
InChI=1S/C10H5N3/c11-4-7-1-2-10-9(3-7)8(5-12)6-13-10/h1-3,6,13H
InChI Key:
GTZRPJCMIRDPCN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(C#N)c[nH]2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.171g/mol
Monoisotopic Mass:
167.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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