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923586-67-8 | 1(2H)-Isoquinolinone, 6-methoxy-3-(1H-pyrazol-1-yl)-
CAS No: 923586-67-8 Catalog No: AG006JS8 MDL No:
Product Description
Catalog Number:
AG006JS8
Chemical Name:
1(2H)-Isoquinolinone, 6-methoxy-3-(1H-pyrazol-1-yl)-
CAS Number:
923586-67-8
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
6-methoxy-3-pyrazol-1-yl-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H11N3O2/c1-18-10-3-4-11-9(7-10)8-12(15-13(11)17)16-6-2-5-14-16/h2-8H,1H3,(H,15,17)
InChI Key:
OKFPCXPHWHQRLD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc([nH]c2=O)n1cccn1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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