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879497-63-9 | 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, 16-(1-oxo-2-propenyl)-
CAS No: 879497-63-9 Catalog No: AG004D54 MDL No:
Product Description
Catalog Number:
AG004D54
Chemical Name:
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, 16-(1-oxo-2-propenyl)-
CAS Number:
879497-63-9
Molecular Formula:
C15H27NO6
Molecular Weight:
317.3780
IUPAC Name:
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)prop-2-en-1-one
InChI:
InChI=1S/C15H27NO6/c1-2-15(17)16-3-5-18-7-9-20-11-13-22-14-12-21-10-8-19-6-4-16/h2H,1,3-14H2
InChI Key:
SXSQLRSXNDAJGV-UHFFFAOYSA-N
SMILES:
C=CC(=O)N1CCOCCOCCOCCOCCOCC1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.382g/mol
Monoisotopic Mass:
317.184g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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