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Home > Other Heterocycles > 6847-76-3
6847-76-3 | 3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane
CAS No: 6847-76-3 Catalog No: AG005PZ8 MDL No:
Product Description
Catalog Number:
AG005PZ8
Chemical Name:
3-methoxy-8,8-dimethyl-2-(4-methylphenyl)sulfonyloxy-4,7,9-trioxabicyclo[4.3.0]nonane
CAS Number:
6847-76-3
Molecular Formula:
C16H22O7S
Molecular Weight:
358.4067
IUPAC Name:
(6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C16H22O7S/c1-10-5-7-11(8-6-10)24(17,18)23-14-13-12(9-20-15(14)19-4)21-16(2,3)22-13/h5-8,12-15H,9H2,1-4H3
InChI Key:
KTMSTUJYKUUYGJ-UHFFFAOYSA-N
SMILES:
COC1OCC2C(C1OS(=O)(=O)c1ccc(cc1)C)OC(O2)(C)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.405g/mol
Monoisotopic Mass:
358.109g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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