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20886-77-5 | pyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione
CAS No: 20886-77-5 Catalog No: AG002JY2 MDL No:MFCD23135617
Product Description
Catalog Number:
AG002JY2
Chemical Name:
pyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione
CAS Number:
20886-77-5
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
MDL Number:
MFCD23135617
IUPAC Name:
8H-pyrimido[4,5-c]pyridazine-5,7-dione
InChI:
InChI=1S/C6H4N4O2/c11-5-3-1-2-7-10-4(3)8-6(12)9-5/h1-2H,(H2,8,9,10,11,12)
InChI Key:
ZIMDKZKMFQILPB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2nnccc2c(=O)[nH]1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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