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52240-00-3 | 4,5-Dihydro-6-(2-thienyl)-3(2H)-pyridazinone
CAS No: 52240-00-3 Catalog No: AG00DKRT MDL No:MFCD00113240
Product Description
Catalog Number:
AG00DKRT
Chemical Name:
4,5-Dihydro-6-(2-thienyl)-3(2H)-pyridazinone
CAS Number:
52240-00-3
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD00113240
IUPAC Name:
3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C8H8N2OS/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
InChI Key:
SLIODHPLYGIMCY-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1cccs1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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