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Home > Indoles and Oxindole > 89587-15-5
89587-15-5 | 1H-Isoindole-1,3(2H)-dione, 2-[3-(1H-indazol-3-yl)-3-oxopropyl]-
CAS No: 89587-15-5 Catalog No: AG003XT7 MDL No:
Product Description
Catalog Number:
AG003XT7
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-(1H-indazol-3-yl)-3-oxopropyl]-
CAS Number:
89587-15-5
Molecular Formula:
C18H13N3O3
Molecular Weight:
319.3141
IUPAC Name:
2-[3-(1H-indazol-3-yl)-3-oxopropyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H13N3O3/c22-15(16-13-7-3-4-8-14(13)19-20-16)9-10-21-17(23)11-5-1-2-6-12(11)18(21)24/h1-8H,9-10H2,(H,19,20)
InChI Key:
IDHCCNKSXFQPBL-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]c2c1cccc2)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.32g/mol
Monoisotopic Mass:
319.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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