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859537-79-4 | Phenol, 4-(ethylsulfonyl)-
CAS No: 859537-79-4 Catalog No: AG004MJT MDL No:MFCD21984762
Product Description
Catalog Number:
AG004MJT
Chemical Name:
Phenol, 4-(ethylsulfonyl)-
CAS Number:
859537-79-4
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD21984762
IUPAC Name:
4-ethylsulfonylphenol
InChI:
InChI=1S/C8H10O3S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
InChI Key:
QIFHJXTUYMXRID-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(cc1)O
Properties
Complexity:
219
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:
1.1
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