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13694-84-3

13694-84-3 | 3-Furanol, tetrahydro-, 3-(4-methylbenzenesulfonate)

CAS No: 13694-84-3 Catalog No: AG0012L8 MDL No:

Product Description

Catalog Number:
AG0012L8
Chemical Name:
3-Furanol, tetrahydro-, 3-(4-methylbenzenesulfonate)
CAS Number:
13694-84-3
Molecular Formula:
C11H14O3S
Molecular Weight:
226.2921
IUPAC Name:
3-(4-methylphenyl)sulfonyloxolane
InChI:
InChI=1S/C11H14O3S/c1-9-2-4-10(5-3-9)15(12,13)11-6-7-14-8-11/h2-5,11H,6-8H2,1H3
InChI Key:
LSOCCBCGJYSBKS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[C@@H]1COCC1

Properties

Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.066g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.29g/mol
Monoisotopic Mass:
226.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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