Home Sulfos 1-(benzenesulfonyl)propan-2-ol

1-(benzenesulfonyl)propan-2-ol

CAS No.:
68276-72-2
Catalog Number:
AG01ABEH
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
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Product Description
Catalog Number:
AG01ABEH
Chemical Name:
1-(benzenesulfonyl)propan-2-ol
CAS Number:
68276-72-2
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD15201575
IUPAC Name:
1-(benzenesulfonyl)propan-2-ol
InChI:
InChI=1S/C9H12O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChI Key:
ADGDGIOFSAGJEX-UHFFFAOYSA-N
SMILES:
CC(CS(=O)(=O)c1ccccc1)O
Properties
Complexity:
234  
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:
3  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties