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Home > Indoles and Oxindole > 125404-24-2
125404-24-2 | 1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxy-2,2-dimethylpropyl)-
CAS No: 125404-24-2 Catalog No: AG000NMY MDL No:MFCD12028464
Product Description
Catalog Number:
AG000NMY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxy-2,2-dimethylpropyl)-
CAS Number:
125404-24-2
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD12028464
IUPAC Name:
2-(3-hydroxy-2,2-dimethylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO3/c1-13(2,8-15)7-14-11(16)9-5-3-4-6-10(9)12(14)17/h3-6,15H,7-8H2,1-2H3
InChI Key:
JGBKYGFUCFYSMT-UHFFFAOYSA-N
SMILES:
OCC(CN1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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