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220798-39-0 | (3-(Methylsulfonyl)phenyl)methanol
CAS No: 220798-39-0 Catalog No: AG003I91 MDL No:MFCD15527275
Product Description
Catalog Number:
AG003I91
Chemical Name:
(3-(Methylsulfonyl)phenyl)methanol
CAS Number:
220798-39-0
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD15527275
IUPAC Name:
(3-methylsulfonylphenyl)methanol
InChI:
InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChI Key:
XFMFNVYEANZUHC-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)S(=O)(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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