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90691-76-2 | 6H-1,2,4,5-Tetrazino[1,6-b]isoquinolin-6-one, 1,2-dihydro-1-methyl-
CAS No: 90691-76-2 Catalog No: AG006MUE MDL No:
Product Description
Catalog Number:
AG006MUE
Chemical Name:
6H-1,2,4,5-Tetrazino[1,6-b]isoquinolin-6-one, 1,2-dihydro-1-methyl-
CAS Number:
90691-76-2
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
IUPAC Name:
1-methyl-2H-[1,2,4,5]tetrazino[1,6-b]isoquinolin-6-one
InChI:
InChI=1S/C11H10N4O/c1-14-10-6-8-4-2-3-5-9(8)11(16)15(10)13-7-12-14/h2-7H,1H3,(H,12,13)
InChI Key:
XSBJHRUJBZCLHI-UHFFFAOYSA-N
SMILES:
Cn1[nH]cnn2c1cc1ccccc1c2=O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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