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89288-27-7 | 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxododecyl)-6-propyl-
CAS No: 89288-27-7 Catalog No: AG0040NO MDL No:
Product Description
Catalog Number:
AG0040NO
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxododecyl)-6-propyl-
CAS Number:
89288-27-7
Molecular Formula:
C20H34O4
Molecular Weight:
338.4816
IUPAC Name:
3-(1-hydroxydodecylidene)-6-propyloxane-2,4-dione
InChI:
InChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-14-17(21)19-18(22)15-16(13-4-2)24-20(19)23/h16,21H,3-15H2,1-2H3
InChI Key:
GXZYAPGJXHLAQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)C1=C(O)CC(OC1=O)CCC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.488g/mol
Monoisotopic Mass:
338.246g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
7.1
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