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Home > Indoles and Oxindole > 88529-64-0
88529-64-0 | 1H-Isoindole-1,3(2H)-dione, 2-(1H-pyrazol-3-ylmethoxy)-
CAS No: 88529-64-0 Catalog No: AG0046RD MDL No:
Product Description
Catalog Number:
AG0046RD
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1H-pyrazol-3-ylmethoxy)-
CAS Number:
88529-64-0
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
2-(1H-pyrazol-5-ylmethoxy)isoindole-1,3-dione
InChI:
InChI=1S/C12H9N3O3/c16-11-9-3-1-2-4-10(9)12(17)15(11)18-7-8-5-6-13-14-8/h1-6H,7H2,(H,13,14)
InChI Key:
XCLQWNANYCPRAF-UHFFFAOYSA-N
SMILES:
O=C1N(OCc2cc[nH]n2)C(=O)c2c1cccc2
Properties
Complexity:
337
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:
1
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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