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84703-25-3 | 3,6-Pyridazinedione,1,2-dihydro-1-(2-propen-1-yl)-
CAS No: 84703-25-3 Catalog No: AG004SND MDL No:
Product Description
Catalog Number:
AG004SND
Chemical Name:
3,6-Pyridazinedione,1,2-dihydro-1-(2-propen-1-yl)-
CAS Number:
84703-25-3
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
2-prop-2-enyl-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C7H8N2O2/c1-2-5-9-7(11)4-3-6(10)8-9/h2-4H,1,5H2,(H,8,10)
InChI Key:
JEHZPYMCCKTQJD-UHFFFAOYSA-N
SMILES:
Oc1ccc(=O)n(n1)CC=C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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