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61196-37-0 | 1,2,3,6,7,11B-HEXAHYDRO-4H-PYRAZINO(2,1-A)ISOQUINOLINE-4-ONE
CAS No: 61196-37-0 Catalog No: AG00EEP5 MDL No:MFCD09743876
Product Description
Catalog Number:
AG00EEP5
Chemical Name:
1,2,3,6,7,11B-HEXAHYDRO-4H-PYRAZINO(2,1-A)ISOQUINOLINE-4-ONE
CAS Number:
61196-37-0
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD09743876
IUPAC Name:
1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
InChI:
InChI=1S/C12H14N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,11,13H,5-8H2
InChI Key:
GTRDOUXISKJZGL-UHFFFAOYSA-N
SMILES:
O=C1CNCC2N1CCc1c2cccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Human fascioliasis. | Clinical microbiology and infection : the official publication of the European Society of Clinical Microbiology and Infectious Diseases 20040501 |
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