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Home > Indoles and Oxindole > 88348-09-8
88348-09-8 | 1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxy-3-methylbutyl)-
CAS No: 88348-09-8 Catalog No: AG0046EV MDL No:
Product Description
Catalog Number:
AG0046EV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxy-3-methylbutyl)-
CAS Number:
88348-09-8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
2-(4-hydroxy-3-methylbutyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO3/c1-9(8-15)6-7-14-12(16)10-4-2-3-5-11(10)13(14)17/h2-5,9,15H,6-8H2,1H3
InChI Key:
IDXGVALPOWFING-UHFFFAOYSA-N
SMILES:
OCC(CCN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
292
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:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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