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2765-42-6 | Benzenemethanol, α,α'-[sulfonylbis(methylene)]bis- (9CI)
CAS No: 2765-42-6 Catalog No: AG002UC0 MDL No:
Product Description
Catalog Number:
AG002UC0
Chemical Name:
Benzenemethanol, α,α'-[sulfonylbis(methylene)]bis- (9CI)
CAS Number:
2765-42-6
Molecular Formula:
C16H18O4S
Molecular Weight:
306.3767
IUPAC Name:
2-(2-hydroxy-2-phenylethyl)sulfonyl-1-phenylethanol
InChI:
InChI=1S/C16H18O4S/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChI Key:
LCYLPHIZRTWPLF-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)CS(=O)(=O)CC(c1ccccc1)O
NSC Number:
84519
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.376g/mol
Monoisotopic Mass:
306.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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