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Home > Aldehydes > 933734-91-9
933734-91-9 | 6-Oxo-1,6-dihydropyridazine-3-carbaldehyde
CAS No: 933734-91-9 Catalog No: AG0063OK MDL No:MFCD09998728
Product Description
Catalog Number:
AG0063OK
Chemical Name:
6-Oxo-1,6-dihydropyridazine-3-carbaldehyde
CAS Number:
933734-91-9
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD09998728
IUPAC Name:
6-oxo-1H-pyridazine-3-carbaldehyde
InChI:
InChI=1S/C5H4N2O2/c8-3-4-1-2-5(9)7-6-4/h1-3H,(H,7,9)
InChI Key:
NRSDBRGRLFTCSW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(=O)[nH]n1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.099g/mol
Monoisotopic Mass:
124.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| 6-Oxo-1,6-dihydro-pyridazine-3-carbaldehyde monohydrate. | Acta crystallographica. Section E, Structure reports online 20120801 |
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