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104576-32-1 | Isoquinoline, 2-acetyl-1,2-dihydro-1-phenyl-
CAS No: 104576-32-1 Catalog No: AG007XSF MDL No:
Product Description
Catalog Number:
AG007XSF
Chemical Name:
Isoquinoline, 2-acetyl-1,2-dihydro-1-phenyl-
CAS Number:
104576-32-1
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
1-(1-phenyl-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C17H15NO/c1-13(19)18-12-11-14-7-5-6-10-16(14)17(18)15-8-3-2-4-9-15/h2-12,17H,1H3
InChI Key:
YALRKCZSXHPOEL-UHFFFAOYSA-N
SMILES:
CC(=O)N1C=Cc2c(C1c1ccccc1)cccc2
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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