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Home > Indoles and Oxindole > 860297-14-9
860297-14-9 | 1H-Indole-5-carbonitrile, 3-formyl-1-methyl-
CAS No: 860297-14-9 Catalog No: AG01EXV4 MDL No:
Product Description
Catalog Number:
AG01EXV4
Chemical Name:
1H-Indole-5-carbonitrile, 3-formyl-1-methyl-
CAS Number:
860297-14-9
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
3-formyl-1-methylindole-5-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-13-6-9(7-14)10-4-8(5-12)2-3-11(10)13/h2-4,6-7H,1H3
InChI Key:
VBMKHTWSSPQKCR-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(C#N)cc2)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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