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808134-64-7 | 9-Octadecen-1-one, 1-[5-(3-pyridazinyl)-2-oxazolyl]-, (9Z)-
CAS No: 808134-64-7 Catalog No: AG0057XA MDL No:
Product Description
Catalog Number:
AG0057XA
Chemical Name:
9-Octadecen-1-one, 1-[5-(3-pyridazinyl)-2-oxazolyl]-, (9Z)-
CAS Number:
808134-64-7
Molecular Formula:
C25H37N3O2
Molecular Weight:
411.5802
IUPAC Name:
1-(5-pyridazin-3-yl-1,3-oxazol-2-yl)octadec-9-en-1-one
InChI:
InChI=1S/C25H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(29)25-26-21-24(30-25)22-18-17-20-27-28-22/h9-10,17-18,20-21H,2-8,11-16,19H2,1H3
InChI Key:
FSUJOINEPLITEC-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)c1ncc(o1)c1cccnn1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.289g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.59g/mol
Monoisotopic Mass:
411.289g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.5
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