Home Sulfos (5-methanesulfonyl-2-methoxyphenyl)methanol

(5-methanesulfonyl-2-methoxyphenyl)methanol

CAS No.:
1444384-86-4
Catalog Number:
AG01BCWH
Molecular Formula:
C9H12O4S
Molecular Weight:
216.2542
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Product Description
Catalog Number:
AG01BCWH
Chemical Name:
(5-methanesulfonyl-2-methoxyphenyl)methanol
CAS Number:
1444384-86-4
Molecular Formula:
C9H12O4S
Molecular Weight:
216.2542
MDL Number:
MFCD26051380
IUPAC Name:
(2-methoxy-5-methylsulfonylphenyl)methanol
InChI:
InChI=1S/C9H12O4S/c1-13-9-4-3-8(14(2,11)12)5-7(9)6-10/h3-5,10H,6H2,1-2H3
InChI Key:
DFLMXZOSHCZHAX-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1OC)S(=O)(=O)C
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.251g/mol
Monoisotopic Mass:
216.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties