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126695-94-1 | Oxacyclohexadecane-2,5-dione
CAS No: 126695-94-1 Catalog No: AG000T3D MDL No:
Product Description
Catalog Number:
AG000T3D
Chemical Name:
Oxacyclohexadecane-2,5-dione
CAS Number:
126695-94-1
Molecular Formula:
C15H26O3
Molecular Weight:
254.3651
IUPAC Name:
oxacyclohexadecane-2,5-dione
InChI:
InChI=1S/C15H26O3/c16-14-10-8-6-4-2-1-3-5-7-9-13-18-15(17)12-11-14/h1-13H2
InChI Key:
GAELBVRMXHDMLI-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCCOC(=O)CC1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.188g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.188g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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