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27464-00-2 | 6-(4-morpholinyl)-3(2H)-pyridazinone
CAS No: 27464-00-2 Catalog No: AG00J2DT MDL No:MFCD15194890
Product Description
Catalog Number:
AG00J2DT
Chemical Name:
6-(4-morpholinyl)-3(2H)-pyridazinone
CAS Number:
27464-00-2
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD15194890
IUPAC Name:
3-morpholin-4-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C8H11N3O2/c12-8-2-1-7(9-10-8)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,10,12)
InChI Key:
LPUWUXASFUPADF-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)N1CCOCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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