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23832-72-6 | 1-PHENYL-2H-ISOQUINOLIN-3-ONE
CAS No: 23832-72-6 Catalog No: AG00CCJ9 MDL No:
Product Description
Catalog Number:
AG00CCJ9
Chemical Name:
1-PHENYL-2H-ISOQUINOLIN-3-ONE
CAS Number:
23832-72-6
IUPAC Name:
1-phenyl-2H-isoquinolin-3-one
InChI:
InChI=1S/C15H11NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChI Key:
AFKGUDWNEZXPFF-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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