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89706-95-6 | 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-6,6-dimethyl-3-(1-oxononyl)-
CAS No: 89706-95-6 Catalog No: AG0043XY MDL No:
Product Description
Catalog Number:
AG0043XY
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-hydroxy-6,6-dimethyl-3-(1-oxononyl)-
CAS Number:
89706-95-6
Molecular Formula:
C16H26O4
Molecular Weight:
282.3752
IUPAC Name:
3-(1-hydroxynonylidene)-6,6-dimethyloxane-2,4-dione
InChI:
InChI=1S/C16H26O4/c1-4-5-6-7-8-9-10-12(17)14-13(18)11-16(2,3)20-15(14)19/h17H,4-11H2,1-3H3
InChI Key:
RJRFGDOWLLGLAC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)C1=C(O)CC(OC1=O)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.38g/mol
Monoisotopic Mass:
282.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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