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1017378-02-7 | "2-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propanoic acid"
CAS No: 1017378-02-7 Catalog No: AG01FMYC MDL No:MFCD09881889
Product Description
Catalog Number:
AG01FMYC
Chemical Name:
"2-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propanoic acid"
CAS Number:
1017378-02-7
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
MDL Number:
MFCD09881889
IUPAC Name:
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoic acid
InChI:
InChI=1S/C11H10N2O3S/c1-7(11(15)16)13-10(14)5-4-8(12-13)9-3-2-6-17-9/h2-7H,1H3,(H,15,16)
InChI Key:
CZFASMYAOFYYTL-UHFFFAOYSA-N
SMILES:
OC(=O)C(n1nc(ccc1=O)c1cccs1)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.272g/mol
Monoisotopic Mass:
250.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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