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Home > Indoles and Oxindole > 131920-07-5
131920-07-5 | 1H-Indole-3-propanenitrile, α-acetyl-α-(2-oxopropyl)-
CAS No: 131920-07-5 Catalog No: AG000ZWR MDL No:
Product Description
Catalog Number:
AG000ZWR
Chemical Name:
1H-Indole-3-propanenitrile, α-acetyl-α-(2-oxopropyl)-
CAS Number:
131920-07-5
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
2-acetyl-2-(1H-indol-3-ylmethyl)-4-oxopentanenitrile
InChI:
InChI=1S/C16H16N2O2/c1-11(19)7-16(10-17,12(2)20)8-13-9-18-15-6-4-3-5-14(13)15/h3-6,9,18H,7-8H2,1-2H3
InChI Key:
SJKMAOLLIRSPQC-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C)(Cc1c[nH]c2c1cccc2)CC(=O)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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