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166398-23-8 | Cyclohexanone, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-
CAS No: 166398-23-8 Catalog No: AG001WOP MDL No:
Product Description
Catalog Number:
AG001WOP
Chemical Name:
Cyclohexanone, 4-(3,4-dihydro-2(1H)-isoquinolinyl)-
CAS Number:
166398-23-8
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
4-(3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-one
InChI:
InChI=1S/C15H19NO/c17-15-7-5-14(6-8-15)16-10-9-12-3-1-2-4-13(12)11-16/h1-4,14H,5-11H2
InChI Key:
BYRHPLCFXPSWTK-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)N1CCc2c(C1)cccc2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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