Home Sulfos 1-(4-methylbenzenesulfonyl)propan-2-ol

1-(4-methylbenzenesulfonyl)propan-2-ol

CAS No.:
85870-05-9
Catalog Number:
AG01AI1M
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
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Product Description
Catalog Number:
AG01AI1M
Chemical Name:
1-(4-methylbenzenesulfonyl)propan-2-ol
CAS Number:
85870-05-9
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
MDL Number:
MFCD18838789
IUPAC Name:
1-(4-methylphenyl)sulfonylpropan-2-ol
InChI:
InChI=1S/C10H14O3S/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChI Key:
FKWONTUYTTWYST-UHFFFAOYSA-N
SMILES:
CC(CS(=O)(=O)c1ccc(cc1)C)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties