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21131-06-6 | 3(2H)-Pyridazinone, 5-(4-morpholinyl)-
CAS No: 21131-06-6 Catalog No: AG002L9O MDL No:MFCD20502642
Product Description
Catalog Number:
AG002L9O
Chemical Name:
3(2H)-Pyridazinone, 5-(4-morpholinyl)-
CAS Number:
21131-06-6
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD20502642
IUPAC Name:
4-morpholin-4-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C8H11N3O2/c12-8-5-7(6-9-10-8)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,10,12)
InChI Key:
ZWPTWKSYFNUPFR-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc(c1)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:
4
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:
-0.8
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