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Home > Indoles and Oxindole > 120713-58-8
120713-58-8 | 5-hydroxy-1,3,3-trimethylindol-2-one
CAS No: 120713-58-8 Catalog No: AG01DIFW MDL No:
Product Description
Catalog Number:
AG01DIFW
Chemical Name:
5-hydroxy-1,3,3-trimethylindol-2-one
CAS Number:
120713-58-8
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
5-hydroxy-1,3,3-trimethylindol-2-one
InChI:
InChI=1S/C11H13NO2/c1-11(2)8-6-7(13)4-5-9(8)12(3)10(11)14/h4-6,13H,1-3H3
InChI Key:
JHAJGKDFHKWIMV-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(C)(C)C(=O)N2C
Properties
Complexity:
262
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:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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