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Home > Indoles and Oxindole > 1414944-13-0
1414944-13-0 | 1H-Indole-2-propanenitrile, 3-methyl-β-oxo-
CAS No: 1414944-13-0 Catalog No: AG001GHF MDL No:
Product Description
Catalog Number:
AG001GHF
Chemical Name:
1H-Indole-2-propanenitrile, 3-methyl-β-oxo-
CAS Number:
1414944-13-0
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
3-(3-methyl-1H-indol-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C12H10N2O/c1-8-9-4-2-3-5-10(9)14-12(8)11(15)6-7-13/h2-5,14H,6H2,1H3
InChI Key:
IXNFXCYLMFKEHP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1[nH]c2c(c1C)cccc2
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:
2.3
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