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Benzenesulfinic acid

CAS No.:
618-41-7
Catalog Number:
AG00IAX3
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
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Product Description
Catalog Number:
AG00IAX3
Chemical Name:
Benzenesulfinic acid
CAS Number:
618-41-7
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
MDL Number:
MFCD00800458
IUPAC Name:
benzenesulfinic acid
InChI:
InChI=1S/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
InChI Key:
JEHKKBHWRAXMCH-UHFFFAOYSA-N
SMILES:
OS(=O)c1ccccc1
EC Number:
210-548-4
UNII:
G9560D97PI
NSC Number:
227915
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.172g/mol
Monoisotopic Mass:
142.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
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Properties