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Home > Imidazoles > 88529-60-6
88529-60-6 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-imidazol-4-yl)ethoxy]-
CAS No: 88529-60-6 Catalog No: AG0046RE MDL No:
Product Description
Catalog Number:
AG0046RE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-imidazol-4-yl)ethoxy]-
CAS Number:
88529-60-6
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
2-[2-(1H-imidazol-5-yl)ethoxy]isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O3/c17-12-10-3-1-2-4-11(10)13(18)16(12)19-6-5-9-7-14-8-15-9/h1-4,7-8H,5-6H2,(H,14,15)
InChI Key:
KGYMQQAJSYYFLR-UHFFFAOYSA-N
SMILES:
O=C1N(OCCc2c[nH]cn2)C(=O)c2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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