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Home > Pyridines > 1083380-37-3
1083380-37-3 | 5-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-3-oxo-pentanoic acid methyl ester
CAS No: 1083380-37-3 Catalog No: AG01F4S8 MDL No:
Product Description
Catalog Number:
AG01F4S8
Chemical Name:
5-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-3-oxo-pentanoic acid methyl ester
CAS Number:
1083380-37-3
Molecular Formula:
C10H12N2O5
Molecular Weight:
240.2127
IUPAC Name:
methyl 5-(3,6-dioxo-1H-pyridazin-2-yl)-3-oxopentanoate
InChI:
InChI=1S/C10H12N2O5/c1-17-10(16)6-7(13)4-5-12-9(15)3-2-8(14)11-12/h2-3H,4-6H2,1H3,(H,11,14)
InChI Key:
KTDSLBMBZKWDOD-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)CCn1nc(O)ccc1=O
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.215g/mol
Monoisotopic Mass:
240.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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