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89706-98-9 | 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxopentadecyl)-6-propyl-
CAS No: 89706-98-9 Catalog No: AG0043XX MDL No:
Product Description
Catalog Number:
AG0043XX
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxopentadecyl)-6-propyl-
CAS Number:
89706-98-9
Molecular Formula:
C23H40O4
Molecular Weight:
380.5613
IUPAC Name:
3-(1-hydroxypentadecylidene)-6-propyloxane-2,4-dione
InChI:
InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(24)22-21(25)18-19(16-4-2)27-23(22)26/h19,24H,3-18H2,1-2H3
InChI Key:
HJXGDNAHOKBZQT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(=O)C1=C(O)CC(OC1=O)CCC
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.293g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.569g/mol
Monoisotopic Mass:
380.293g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
8.7
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