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Home > Indoles and Oxindole > 1857296-22-0
1857296-22-0 | 5-Formyl-4-methyl-1H-indole-2-carbonitrile
CAS No: 1857296-22-0 Catalog No: AG00ILYJ MDL No:
Product Description
Catalog Number:
AG00ILYJ
Chemical Name:
5-Formyl-4-methyl-1H-indole-2-carbonitrile
CAS Number:
1857296-22-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
5-formyl-4-methyl-1H-indole-2-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-7-8(6-14)2-3-11-10(7)4-9(5-12)13-11/h2-4,6,13H,1H3
InChI Key:
WXKSWTXSZDGHGT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1C)cc([nH]2)C#N
Properties
Complexity:
280
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:
1
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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