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17644-94-9 | 1,4-Methanopyridazino[1,2-b]phthalazine-6,11-dione, 1,4-dihydro-
CAS No: 17644-94-9 Catalog No: AG0024PC MDL No:
Product Description
Catalog Number:
AG0024PC
Chemical Name:
1,4-Methanopyridazino[1,2-b]phthalazine-6,11-dione, 1,4-dihydro-
CAS Number:
17644-94-9
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
2,11-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione
InChI:
InChI=1S/C13H10N2O2/c16-12-10-3-1-2-4-11(10)13(17)15-9-6-5-8(7-9)14(12)15/h1-6,8-9H,7H2
InChI Key:
JGOODLYRAYGMBT-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2c(=O)n2n1C1C=CC2C1
NSC Number:
355139
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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