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Home > Indoles and Oxindole > 88940-36-7
88940-36-7 | 1H-Isoindole-1,3(2H)-dione, 2-[6-(5-pyrimidinyl)hexyl]-
CAS No: 88940-36-7 Catalog No: AG0048E8 MDL No:
Product Description
Catalog Number:
AG0048E8
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[6-(5-pyrimidinyl)hexyl]-
CAS Number:
88940-36-7
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
2-(6-pyrimidin-5-ylhexyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H19N3O2/c22-17-15-8-4-5-9-16(15)18(23)21(17)10-6-2-1-3-7-14-11-19-13-20-12-14/h4-5,8-9,11-13H,1-3,6-7,10H2
InChI Key:
SVVQQOZFQDHYSB-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCCc2cncnc2)C(=O)c2c1cccc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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