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Home > Indoles and Oxindole > 1194024-40-2
1194024-40-2 | 3-(6-methyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS No: 1194024-40-2 Catalog No: AG019X4O MDL No:MFCD13195990
Product Description
Catalog Number:
AG019X4O
Chemical Name:
3-(6-methyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS Number:
1194024-40-2
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD13195990
IUPAC Name:
3-(6-methyl-1H-indol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C12H10N2O/c1-8-2-3-9-10(12(15)4-5-13)7-14-11(9)6-8/h2-3,6-7,14H,4H2,1H3
InChI Key:
WMBQHNTUEJHHLN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1c[nH]c2c1ccc(c2)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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