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Home > Indoles and Oxindole > 89587-14-4
89587-14-4 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-indazol-3-yl)-2-oxoethyl]-
CAS No: 89587-14-4 Catalog No: AG003Z3U MDL No:
Product Description
Catalog Number:
AG003Z3U
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-indazol-3-yl)-2-oxoethyl]-
CAS Number:
89587-14-4
Molecular Formula:
C17H11N3O3
Molecular Weight:
305.2875
IUPAC Name:
2-[2-(1H-indazol-3-yl)-2-oxoethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H11N3O3/c21-14(15-12-7-3-4-8-13(12)18-19-15)9-20-16(22)10-5-1-2-6-11(10)17(20)23/h1-8H,9H2,(H,18,19)
InChI Key:
VQOOBBGEZKVSGJ-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]c2c1cccc2)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.08g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.293g/mol
Monoisotopic Mass:
305.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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