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89288-28-8 | 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxo-11-dodecenyl)-
CAS No: 89288-28-8 Catalog No: AG0040V7 MDL No:
Product Description
Catalog Number:
AG0040V7
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-3-(1-oxo-11-dodecenyl)-
CAS Number:
89288-28-8
Molecular Formula:
C17H26O4
Molecular Weight:
294.3859
IUPAC Name:
3-(1-hydroxydodec-11-enylidene)oxane-2,4-dione
InChI:
InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-14(18)16-15(19)12-13-21-17(16)20/h2,18H,1,3-13H2
InChI Key:
FCTNYEYYFUCJDC-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCCC(=O)C1=C(O)CCOC1=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.391g/mol
Monoisotopic Mass:
294.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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