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89707-04-0 | 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxoheptyl)-6-propyl-
CAS No: 89707-04-0 Catalog No: AG0042EY MDL No:
Product Description
Catalog Number:
AG0042EY
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxoheptyl)-6-propyl-
CAS Number:
89707-04-0
Molecular Formula:
C15H24O4
Molecular Weight:
268.3487
IUPAC Name:
3-(1-hydroxyheptylidene)-6-propyloxane-2,4-dione
InChI:
InChI=1S/C15H24O4/c1-3-5-6-7-9-12(16)14-13(17)10-11(8-4-2)19-15(14)18/h11,16H,3-10H2,1-2H3
InChI Key:
SEPQDNCTTBFFTK-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C1=C(O)CC(OC1=O)CCC
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.353g/mol
Monoisotopic Mass:
268.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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