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127026-22-6 | 1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-
CAS No: 127026-22-6 Catalog No: AG000WL3 MDL No:
Product Description
Catalog Number:
AG000WL3
Chemical Name:
1H-Indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-
CAS Number:
127026-22-6
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
1-(2-methylbutan-2-yl)-3-oxoindene-2-carbonitrile
InChI:
InChI=1S/C15H15NO/c1-4-15(2,3)13-10-7-5-6-8-11(10)14(17)12(13)9-16/h5-8H,4H2,1-3H3
InChI Key:
WWXYVYUCPQOVAM-UHFFFAOYSA-N
SMILES:
CCC(C1=C(C#N)C(=O)c2c1cccc2)(C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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