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103253-78-7 | 2-Propanone, 1-(3,4-dihydro-2(1H)-isoquinolinyl)-, hydrochloride
CAS No: 103253-78-7 Catalog No: AG0085X9 MDL No:
Product Description
Catalog Number:
AG0085X9
Chemical Name:
2-Propanone, 1-(3,4-dihydro-2(1H)-isoquinolinyl)-, hydrochloride
CAS Number:
103253-78-7
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one;hydrochloride
InChI:
InChI=1S/C12H15NO.ClH/c1-10(14)8-13-7-6-11-4-2-3-5-12(11)9-13;/h2-5H,6-9H2,1H3;1H
InChI Key:
ZGUHEZZLJZEIOI-UHFFFAOYSA-N
SMILES:
CC(=O)CN1CCc2c(C1)cccc2.Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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