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Home > Other Heterocycles > 3709-33-9
3709-33-9 | 5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-(phenylmethyl)-
CAS No: 3709-33-9 Catalog No: AG007B0G MDL No:
Product Description
Catalog Number:
AG007B0G
Chemical Name:
5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-(phenylmethyl)-
CAS Number:
3709-33-9
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
2-benzyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
InChI:
InChI=1S/C15H16O4/c1-14(2)18-12(16)15(13(17)19-14)9-11(15)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChI Key:
NDPIYGXEMWNFMC-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C21CC2Cc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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