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346407-15-6 | "4-(6-oxo-1,6-dihydropyridazin-1-yl)butanoic acid"
CAS No: 346407-15-6 Catalog No: AG01FN5W MDL No:MFCD17271176
Product Description
Catalog Number:
AG01FN5W
Chemical Name:
"4-(6-oxo-1,6-dihydropyridazin-1-yl)butanoic acid"
CAS Number:
346407-15-6
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD17271176
IUPAC Name:
4-(6-oxopyridazin-1-yl)butanoic acid
InChI:
InChI=1S/C8H10N2O3/c11-7-3-1-5-9-10(7)6-2-4-8(12)13/h1,3,5H,2,4,6H2,(H,12,13)
InChI Key:
GDXLKXUCMYFUBR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1ncccc1=O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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