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821811-77-2 | 4H-Pyrazino[1,2-b]isoquinolin-4-one
CAS No: 821811-77-2 Catalog No: AG005HWJ MDL No:
Product Description
Catalog Number:
AG005HWJ
Chemical Name:
4H-Pyrazino[1,2-b]isoquinolin-4-one
CAS Number:
821811-77-2
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
IUPAC Name:
pyrazino[1,2-b]isoquinolin-4-one
InChI:
InChI=1S/C12H8N2O/c15-12-7-13-6-11-5-9-3-1-2-4-10(9)8-14(11)12/h1-8H
InChI Key:
GGLHYBRYFUNMEB-UHFFFAOYSA-N
SMILES:
O=c1cncc2n1cc1ccccc1c2
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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