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10071-45-1 | Pyridazino[1,2-d][1,4,5]oxadiazepine-2,4,7,10(1H,5H)-tetrone
CAS No: 10071-45-1 Catalog No: AG0002P5 MDL No:
Product Description
Catalog Number:
AG0002P5
Chemical Name:
Pyridazino[1,2-d][1,4,5]oxadiazepine-2,4,7,10(1H,5H)-tetrone
CAS Number:
10071-45-1
Molecular Formula:
C8H6N2O5
Molecular Weight:
210.1436
IUPAC Name:
1,5-dihydropyridazino[1,2-d][1,4,5]oxadiazepine-2,4,7,10-tetrone
InChI:
InChI=1S/C8H6N2O5/c11-5-1-2-6(12)10-4-8(14)15-7(13)3-9(5)10/h1-2H,3-4H2
InChI Key:
DICUVUJLYNKAOO-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)Cn2n(C1)c(=O)ccc2=O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.145g/mol
Monoisotopic Mass:
210.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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