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18332-24-6 | Ethanone, 1-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-
CAS No: 18332-24-6 Catalog No: AG0027IB MDL No:
Product Description
Catalog Number:
AG0027IB
Chemical Name:
Ethanone, 1-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-
CAS Number:
18332-24-6
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C12H15NO/c1-9-12-6-4-3-5-11(12)7-8-13(9)10(2)14/h3-6,9H,7-8H2,1-2H3
InChI Key:
LFUKQXSYELYCNV-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1C)cccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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