Home Sulfos p-Toluenesulfonic acid tetrahydrofuran-2-ylmethyl ester

p-Toluenesulfonic acid tetrahydrofuran-2-ylmethyl ester

CAS No.:
34583-63-6
Catalog Number:
AG00CN1Y
Molecular Formula:
C12H16O4S
Molecular Weight:
256.3180
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Product Description
Catalog Number:
AG00CN1Y
Chemical Name:
p-Toluenesulfonic acid tetrahydrofuran-2-ylmethyl ester
CAS Number:
34583-63-6
Molecular Formula:
C12H16O4S
Molecular Weight:
256.3180
MDL Number:
MFCD00666151
IUPAC Name:
oxolan-2-ylmethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H16O4S/c1-10-4-6-12(7-5-10)17(13,14)16-9-11-3-2-8-15-11/h4-7,11H,2-3,8-9H2,1H3
InChI Key:
FDMKROMOVVBUIJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1CCCO1
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.316g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties