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107400-33-9 | 2-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1H-isoindol-1-one
CAS No: 107400-33-9 Catalog No: AG00INIA MDL No:MFCD02082781
Product Description
Catalog Number:
AG00INIA
Chemical Name:
2-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1H-isoindol-1-one
CAS Number:
107400-33-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD02082781
IUPAC Name:
2-(1-hydroxy-2-methylpropan-2-yl)-3H-isoindol-1-one
InChI:
InChI=1S/C12H15NO2/c1-12(2,8-14)13-7-9-5-3-4-6-10(9)11(13)15/h3-6,14H,7-8H2,1-2H3
InChI Key:
FFFJKHRLIQLCQQ-UHFFFAOYSA-N
SMILES:
OCC(N1Cc2c(C1=O)cccc2)(C)C
Properties
Complexity:
262
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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