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88703-48-4

88703-48-4 | 2-Butanone, 4-hydroxy-1-(phenylsulfonyl)-

CAS No: 88703-48-4 Catalog No: AG0046GL MDL No:

Product Description

Catalog Number:
AG0046GL
Chemical Name:
2-Butanone, 4-hydroxy-1-(phenylsulfonyl)-
CAS Number:
88703-48-4
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
IUPAC Name:
1-(benzenesulfonyl)-4-hydroxybutan-2-one
InChI:
InChI=1S/C10H12O4S/c11-7-6-9(12)8-15(13,14)10-4-2-1-3-5-10/h1-5,11H,6-8H2
InChI Key:
AVKDYPFEQOWKQB-UHFFFAOYSA-N
SMILES:
OCCC(=O)CS(=O)(=O)c1ccccc1

Properties

Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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