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Home > Indoles and Oxindole > 86809-31-6
86809-31-6 | 1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-
CAS No: 86809-31-6 Catalog No: AG00IE7L MDL No:MFCD11869290
Product Description
Catalog Number:
AG00IE7L
Chemical Name:
1H-Isoindol-1-one, 2-(1,1-dimethylethyl)-2,3-dihydro-3-hydroxy-
CAS Number:
86809-31-6
MDL Number:
MFCD11869290
IUPAC Name:
2-tert-butyl-3-hydroxy-3H-isoindol-1-one
InChI:
InChI=1S/C12H15NO2/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(13)15/h4-7,10,14H,1-3H3
InChI Key:
XWSTVMBFPMFHDB-UHFFFAOYSA-N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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