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Home > Indoles and Oxindole > 864685-14-3
864685-14-3 | 2H-Indol-2-one,4-ethyl-1,3-dihydro-3-hydroxy-3-methyl-
CAS No: 864685-14-3 Catalog No: AG004WI6 MDL No:
Product Description
Catalog Number:
AG004WI6
Chemical Name:
2H-Indol-2-one,4-ethyl-1,3-dihydro-3-hydroxy-3-methyl-
CAS Number:
864685-14-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
4-ethyl-3-hydroxy-3-methyl-1H-indol-2-one
InChI:
InChI=1S/C11H13NO2/c1-3-7-5-4-6-8-9(7)11(2,14)10(13)12-8/h4-6,14H,3H2,1-2H3,(H,12,13)
InChI Key:
BIEZABJQZMENGK-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1C(C)(O)C(=O)N2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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