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Home > Indoles and Oxindole > 80711-56-4
80711-56-4 | 5-Hydroxy-3,3-dimethylindolin-2-one
CAS No: 80711-56-4 Catalog No: AG0051QD MDL No:MFCD00834184
Product Description
Catalog Number:
AG0051QD
Chemical Name:
5-Hydroxy-3,3-dimethylindolin-2-one
CAS Number:
80711-56-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00834184
IUPAC Name:
5-hydroxy-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C10H11NO2/c1-10(2)7-5-6(12)3-4-8(7)11-9(10)13/h3-5,12H,1-2H3,(H,11,13)
InChI Key:
IVMYKLYNZCWHTC-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(C)(C)C(=O)N2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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