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Home > Indoles and Oxindole > 1803607-85-3
1803607-85-3 | 2-[3-(pyrimidin-5-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1803607-85-3 Catalog No: AG01BBIV MDL No:MFCD28714569
Product Description
Catalog Number:
AG01BBIV
Chemical Name:
2-[3-(pyrimidin-5-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1803607-85-3
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD28714569
IUPAC Name:
2-(3-pyrimidin-5-ylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H13N3O2/c19-14-12-5-1-2-6-13(12)15(20)18(14)7-3-4-11-8-16-10-17-9-11/h1-2,5-6,8-10H,3-4,7H2
InChI Key:
UVKRQZVQHMGGPS-UHFFFAOYSA-N
SMILES:
O=C1N(CCCc2cncnc2)C(=O)c2c1cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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