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Home > Other Building Blocks > 81017-03-0
81017-03-0 | 2H-Pyran-2-one,4-hydroxy-6-undecyl-
CAS No: 81017-03-0 Catalog No: AG0050GX MDL No:
Product Description
Catalog Number:
AG0050GX
Chemical Name:
2H-Pyran-2-one,4-hydroxy-6-undecyl-
CAS Number:
81017-03-0
Molecular Formula:
C16H26O3
Molecular Weight:
266.3758
IUPAC Name:
4-hydroxy-6-undecylpyran-2-one
InChI:
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-15-12-14(17)13-16(18)19-15/h12-13,17H,2-11H2,1H3
InChI Key:
UHXLJSSQRSIPND-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1cc(O)cc(=O)o1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.188g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.381g/mol
Monoisotopic Mass:
266.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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