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Home > Aldehydes > 699022-63-4
699022-63-4 | 3-Pyridazinecarboxaldehyde, 6-(4-ethoxyphenyl)-
CAS No: 699022-63-4 Catalog No: AG0065RG MDL No:
Product Description
Catalog Number:
AG0065RG
Chemical Name:
3-Pyridazinecarboxaldehyde, 6-(4-ethoxyphenyl)-
CAS Number:
699022-63-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
6-(4-ethoxyphenyl)pyridazine-3-carbaldehyde
InChI:
InChI=1S/C13H12N2O2/c1-2-17-12-6-3-10(4-7-12)13-8-5-11(9-16)14-15-13/h3-9H,2H2,1H3
InChI Key:
GCUZOFUQXHXLPJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)c1ccc(nn1)C=O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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