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16793-42-3 | Ethanol, 2-[(phenylmethyl)sulfonyl]-
CAS No: 16793-42-3 Catalog No: AG001XP0 MDL No:
Product Description
Catalog Number:
AG001XP0
Chemical Name:
Ethanol, 2-[(phenylmethyl)sulfonyl]-
CAS Number:
16793-42-3
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
IUPAC Name:
2-benzylsulfonylethanol
InChI:
InChI=1S/C9H12O3S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
FTZFQOVMXZEAER-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)Cc1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.252g/mol
Monoisotopic Mass:
200.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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