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108825-20-3 | 1,1'-(3,4-Dihydroisoquinoline-2,5(1H)-diyl)diethanone
CAS No: 108825-20-3 Catalog No: AG007TZH MDL No:
Product Description
Catalog Number:
AG007TZH
Chemical Name:
1,1'-(3,4-Dihydroisoquinoline-2,5(1H)-diyl)diethanone
CAS Number:
108825-20-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)ethanone
InChI:
InChI=1S/C13H15NO2/c1-9(15)12-5-3-4-11-8-14(10(2)16)7-6-13(11)12/h3-5H,6-8H2,1-2H3
InChI Key:
JAHPURCLSLXXIA-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)cccc2C(=O)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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