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Home > Pyridines > 100595-21-9
100595-21-9 | 2H-Indeno[2,1-c]pyridazine-3,9-dione
CAS No: 100595-21-9 Catalog No: AG0002F9 MDL No:
Product Description
Catalog Number:
AG0002F9
Chemical Name:
2H-Indeno[2,1-c]pyridazine-3,9-dione
CAS Number:
100595-21-9
Molecular Formula:
C11H6N2O2
Molecular Weight:
198.1775
IUPAC Name:
2H-indeno[2,1-c]pyridazine-3,9-dione
InChI:
InChI=1S/C11H6N2O2/c14-9-5-8-6-3-1-2-4-7(6)11(15)10(8)13-12-9/h1-5H,(H,12,14)
InChI Key:
ZYICMRFRKSZKCP-UHFFFAOYSA-N
SMILES:
O=C1c2n[nH]c(=O)cc2c2c1cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.181g/mol
Monoisotopic Mass:
198.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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