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106421-82-3 | Propanenitrile, 2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-3-oxo-
CAS No: 106421-82-3 Catalog No: AG007CKX MDL No:
Product Description
Catalog Number:
AG007CKX
Chemical Name:
Propanenitrile, 2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-3-oxo-
CAS Number:
106421-82-3
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
3-oxo-2-(1,3,3-trimethylindol-2-ylidene)propanenitrile
InChI:
InChI=1S/C14H14N2O/c1-14(2)11-6-4-5-7-12(11)16(3)13(14)10(8-15)9-17/h4-7,9H,1-3H3
InChI Key:
FSNRHUFUPQFMBI-UHFFFAOYSA-N
SMILES:
O=CC(=C1N(C)c2c(C1(C)C)cccc2)C#N
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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