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Home > Indoles and Oxindole > 34944-03-1
34944-03-1 | 1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-
CAS No: 34944-03-1 Catalog No: AG007GMK MDL No:
Product Description
Catalog Number:
AG007GMK
Chemical Name:
1H-Indole-3-acetonitrile, 2,3-dihydro-3-methyl-2-oxo-1-(phenylmethyl)-
CAS Number:
34944-03-1
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
2-(1-benzyl-3-methyl-2-oxoindol-3-yl)acetonitrile
InChI:
InChI=1S/C18H16N2O/c1-18(11-12-19)15-9-5-6-10-16(15)20(17(18)21)13-14-7-3-2-4-8-14/h2-10H,11,13H2,1H3
InChI Key:
LTAXYLLNJQQIMN-UHFFFAOYSA-N
SMILES:
N#CCC1(C)c2ccccc2N(C1=O)Cc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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