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89707-07-3 | 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxoundecyl)-6-propyl-
CAS No: 89707-07-3 Catalog No: AG0043XU MDL No:
Product Description
Catalog Number:
AG0043XU
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxoundecyl)-6-propyl-
CAS Number:
89707-07-3
Molecular Formula:
C19H32O4
Molecular Weight:
324.4550
IUPAC Name:
3-(1-hydroxyundecylidene)-6-propyloxane-2,4-dione
InChI:
InChI=1S/C19H32O4/c1-3-5-6-7-8-9-10-11-13-16(20)18-17(21)14-15(12-4-2)23-19(18)22/h15,20H,3-14H2,1-2H3
InChI Key:
IJNNCCNPQIFCPU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(=O)C1=C(O)CC(OC1=O)CCC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.23g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.461g/mol
Monoisotopic Mass:
324.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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