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78784-78-8 | 6-(thiophen-3-yl)pyridazin-3(2H)-one
CAS No: 78784-78-8 Catalog No: AG00G8IZ MDL No:MFCD00114955
Product Description
Catalog Number:
AG00G8IZ
Chemical Name:
6-(thiophen-3-yl)pyridazin-3(2H)-one
CAS Number:
78784-78-8
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD00114955
IUPAC Name:
3-thiophen-3-yl-1H-pyridazin-6-one
InChI:
InChI=1S/C8H6N2OS/c11-8-2-1-7(9-10-8)6-3-4-12-5-6/h1-5H,(H,10,11)
InChI Key:
USSZYBGSHQIXSX-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)c1cscc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/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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