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Home > Indoles and Oxindole > 40526-64-5
40526-64-5 | 3-(3,5-Di-tert-butyl-4-hydroxybenzylidenyl)indolin-2-one
CAS No: 40526-64-5 Catalog No: AG0076MV MDL No:
Product Description
Catalog Number:
AG0076MV
Chemical Name:
3-(3,5-Di-tert-butyl-4-hydroxybenzylidenyl)indolin-2-one
CAS Number:
40526-64-5
Molecular Formula:
C23H27NO2
Molecular Weight:
349.4660
IUPAC Name:
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1H-indol-2-one
InChI:
InChI=1S/C23H27NO2/c1-22(2,3)17-12-14(13-18(20(17)25)23(4,5)6)11-16-15-9-7-8-10-19(15)24-21(16)26/h7-13,25H,1-6H3,(H,24,26)
InChI Key:
NUMNJHZZSGKINB-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(/C/1=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)cccc2
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.474g/mol
Monoisotopic Mass:
349.204g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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