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Home > Indoles and Oxindole > 63273-48-3
63273-48-3 | 2-(5-hydroxypentyl)isoindoline-1,3-dione
CAS No: 63273-48-3 Catalog No: AG01DKHV MDL No:MFCD09923385
Product Description
Catalog Number:
AG01DKHV
Chemical Name:
2-(5-hydroxypentyl)isoindoline-1,3-dione
CAS Number:
63273-48-3
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD09923385
IUPAC Name:
2-(5-hydroxypentyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO3/c15-9-5-1-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7,15H,1,4-5,8-9H2
InChI Key:
AEQXSCZKSNBLQW-UHFFFAOYSA-N
SMILES:
OCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
279
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:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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