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77281-80-2 | Benzaldehyde, 4-(1,6-dihydro-1-methyl-6-oxo-3-pyridazinyl)-
CAS No: 77281-80-2 Catalog No: AG0054S6 MDL No:
Product Description
Catalog Number:
AG0054S6
Chemical Name:
Benzaldehyde, 4-(1,6-dihydro-1-methyl-6-oxo-3-pyridazinyl)-
CAS Number:
77281-80-2
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
4-(1-methyl-6-oxopyridazin-3-yl)benzaldehyde
InChI:
InChI=1S/C12H10N2O2/c1-14-12(16)7-6-11(13-14)10-4-2-9(8-15)3-5-10/h2-8H,1H3
InChI Key:
WMTUGBOJTUXXHB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(=O)n(n1)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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