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115124-57-7 | 2H-Pyran-2-one, 5,6-dihydro-6-pentadecyl-
CAS No: 115124-57-7 Catalog No: AG000GBG MDL No:
Product Description
Catalog Number:
AG000GBG
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-6-pentadecyl-
CAS Number:
115124-57-7
Molecular Formula:
C20H36O2
Molecular Weight:
308.4986
IUPAC Name:
2-pentadecyl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3
InChI Key:
XHFKKMXWXSWHOZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC1CC=CC(=O)O1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.272g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.506g/mol
Monoisotopic Mass:
308.272g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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