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88529-72-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(5-methyl-1H-imidazol-4-yl)methoxy]-
CAS No: 88529-72-0 Catalog No: AG00458M MDL No:
Product Description
Catalog Number:
AG00458M
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(5-methyl-1H-imidazol-4-yl)methoxy]-
CAS Number:
88529-72-0
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
2-[(5-methyl-1H-imidazol-4-yl)methoxy]isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O3/c1-8-11(15-7-14-8)6-19-16-12(17)9-4-2-3-5-10(9)13(16)18/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key:
FKIJMWIPULJYJW-UHFFFAOYSA-N
SMILES:
O=C1N(OCc2nc[nH]c2C)C(=O)c2c1cccc2
Properties
Complexity:
363
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:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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