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Home > Indoles and Oxindole > 98055-17-5
98055-17-5 | 1H-Isoindole-1,3(2H)-dione, 2-hydroxy-4,5,6,7-tetramethyl-
CAS No: 98055-17-5 Catalog No: AG005WQK MDL No:
Product Description
Catalog Number:
AG005WQK
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-hydroxy-4,5,6,7-tetramethyl-
CAS Number:
98055-17-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-hydroxy-4,5,6,7-tetramethylisoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3/c1-5-6(2)8(4)10-9(7(5)3)11(14)13(16)12(10)15/h16H,1-4H3
InChI Key:
RKHAJXFHDFDUTN-UHFFFAOYSA-N
SMILES:
ON1C(=O)c2c(C1=O)c(C)c(c(c2C)C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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