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97214-25-0 | 3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanenitrile
CAS No: 97214-25-0 Catalog No: AG006NFA MDL No:MFCD06660585
Product Description
Catalog Number:
AG006NFA
Chemical Name:
3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanenitrile
CAS Number:
97214-25-0
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD06660585
IUPAC Name:
3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanenitrile
InChI:
InChI=1S/C15H16N2O/c1-15(2)12-6-4-5-7-13(12)17(3)14(15)10-11(18)8-9-16/h4-7,10H,8H2,1-3H3
InChI Key:
FFYNSCICOOBTIU-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C=C1N(C)c2c(C1(C)C)cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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