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90016-87-8 | 4H-Pyridazino[4,5-b]indol-4-one, 3,5-dihydro-1-methyl-
CAS No: 90016-87-8 Catalog No: AG006M54 MDL No:
Product Description
Catalog Number:
AG006M54
Chemical Name:
4H-Pyridazino[4,5-b]indol-4-one, 3,5-dihydro-1-methyl-
CAS Number:
90016-87-8
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
IUPAC Name:
1-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
InChI:
InChI=1S/C11H9N3O/c1-6-9-7-4-2-3-5-8(7)12-10(9)11(15)14-13-6/h2-5,12H,1H3,(H,14,15)
InChI Key:
HESDHQAUKNHUST-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1[nH]c1c2cccc1)C
NSC Number:
600231
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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