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84200-08-8 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(4-pyridinyl)propyl]-
CAS No: 84200-08-8 Catalog No: AG004YIB MDL No:
Product Description
Catalog Number:
AG004YIB
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(4-pyridinyl)propyl]-
CAS Number:
84200-08-8
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
2-(3-pyridin-4-ylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H14N2O2/c19-15-13-5-1-2-6-14(13)16(20)18(15)11-3-4-12-7-9-17-10-8-12/h1-2,5-10H,3-4,11H2
InChI Key:
NORKQDMUHKNJNN-UHFFFAOYSA-N
SMILES:
O=C1N(CCCc2ccncc2)C(=O)c2c1cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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