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Home > Indoles and Oxindole > 71510-41-3
71510-41-3 | 1H-Isoindole-1,3(2H)-dione,2-(5-oxohexyl)-
CAS No: 71510-41-3 Catalog No: AG005H4T MDL No:MFCD09030875
Product Description
Catalog Number:
AG005H4T
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-(5-oxohexyl)-
CAS Number:
71510-41-3
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD09030875
IUPAC Name:
2-(5-oxohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H15NO3/c1-10(16)6-4-5-9-15-13(17)11-7-2-3-8-12(11)14(15)18/h2-3,7-8H,4-6,9H2,1H3
InChI Key:
HVVRQUYSKYIOJV-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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