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Home > Indoles and Oxindole > 88529-81-1
88529-81-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(1-methyl-1H-pyrazol-3-yl)methoxy]-
CAS No: 88529-81-1 Catalog No: AG00458K MDL No:
Product Description
Catalog Number:
AG00458K
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1-methyl-1H-pyrazol-3-yl)methoxy]-
CAS Number:
88529-81-1
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
2-[(1-methylpyrazol-3-yl)methoxy]isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O3/c1-15-7-6-9(14-15)8-19-16-12(17)10-4-2-3-5-11(10)13(16)18/h2-7H,8H2,1H3
InChI Key:
SEPXZJWZKZFEDU-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)CON1C(=O)c2c(C1=O)cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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