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69635-27-4 | 3,6-Pyridazinedione, 1,2-dihydro-1-(1-methylethyl)-
CAS No: 69635-27-4 Catalog No: AG005JY7 MDL No:
Product Description
Catalog Number:
AG005JY7
Chemical Name:
3,6-Pyridazinedione, 1,2-dihydro-1-(1-methylethyl)-
CAS Number:
69635-27-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
2-propan-2-yl-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C7H10N2O2/c1-5(2)9-7(11)4-3-6(10)8-9/h3-5H,1-2H3,(H,8,10)
InChI Key:
PWVCUSHRRDLFIH-UHFFFAOYSA-N
SMILES:
O=c1ccc(=O)n([nH]1)C(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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