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Home > Indoles and Oxindole > 26384-52-1
26384-52-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(5-hydroxy-1H-pyrazol-3-yl)methyl]-
CAS No: 26384-52-1 Catalog No: AG002SYY MDL No:
Product Description
Catalog Number:
AG002SYY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(5-hydroxy-1H-pyrazol-3-yl)methyl]-
CAS Number:
26384-52-1
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
2-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C12H9N3O3/c16-10-5-7(13-14-10)6-15-11(17)8-3-1-2-4-9(8)12(15)18/h1-5H,6H2,(H2,13,14,16)
InChI Key:
KSFBNSIUAQAJTL-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2cc([nH]n2)O)C(=O)c2c1cccc2
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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