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Home > Other Heterocycles > 74128-49-7
74128-49-7 | 2-methoxy-4-[(4-methylphenyl)sulfonyloxymethyl]-3,6-dioxabicyclo[3.1.0]hexane
CAS No: 74128-49-7 Catalog No: AG0059C2 MDL No:
Product Description
Catalog Number:
AG0059C2
Chemical Name:
2-methoxy-4-[(4-methylphenyl)sulfonyloxymethyl]-3,6-dioxabicyclo[3.1.0]hexane
CAS Number:
74128-49-7
Molecular Formula:
C13H16O6S
Molecular Weight:
300.3275
IUPAC Name:
(4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H16O6S/c1-8-3-5-9(6-4-8)20(14,15)17-7-10-11-12(19-11)13(16-2)18-10/h3-6,10-13H,7H2,1-2H3
InChI Key:
GYNSQKXLJOVBFS-UHFFFAOYSA-N
SMILES:
COC1OC(C2C1O2)COS(=O)(=O)c1ccc(cc1)C
NSC Number:
80826
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.325g/mol
Monoisotopic Mass:
300.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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