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833479-72-4 | 5H-Pyrazolo[3,4-c]isoquinolin-5-one, 2,4-dihydro-4-phenyl-
CAS No: 833479-72-4 Catalog No: AG0055M7 MDL No:
Product Description
Catalog Number:
AG0055M7
Chemical Name:
5H-Pyrazolo[3,4-c]isoquinolin-5-one, 2,4-dihydro-4-phenyl-
CAS Number:
833479-72-4
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
IUPAC Name:
4-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-one
InChI:
InChI=1S/C16H11N3O/c20-16-13-9-5-4-8-12(13)14-10-17-18-15(14)19(16)11-6-2-1-3-7-11/h1-10H,(H,17,18)
InChI Key:
ZLPDVQUVHXFLBA-UHFFFAOYSA-N
SMILES:
O=c1n(c2ccccc2)c2n[nH]cc2c2c1cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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