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N-Hydroxy-4-methylbenzenesulfonamide

CAT: 1266-JH162431Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH162431Size:1 Each
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CAS Number
1593-60-8
UN Code
UN 3276
Hazard Statement
Xi
Stability
Stable at normal temperatures and pressures.
Molecular Formula
C7H9NO3S
Molecular Weight
187.22
Product Name Synonym
N-Hydroxy-4-toluenesulfonamide
Physical Properties
Clear colorless liquid
Hazardous Class
6.1
Safety Statements
S26
Density
1.21g/cm3
Flash Point
195.4oC
RIDADR
UN 3276
Melting Point
107-111oC

Chemical Information

N-Hydroxy-4-methylbenzenesulfonamide
CAS Number1593-60-8
PubChem CID10081163
IUPAC NameN-hydroxy-4-methylbenzenesulfonamide
Molecular FormulaC7H9NO3S
Molecular Weight187.22
XLogP0.8
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity224
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NO
InChI
InChI=1S/C7H9NO3S/c1-6-2-4-7(5-3-6)12(10,11)8-9/h2-5,8-9H,1H3
InChIKey
XMJJPCJUQLGGND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Hydroxy-4-methylbenzenesulfonamide
CAS: 1593-60-8
CID: 10081163
Formula: C7H9NO3S
MW: 187.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.22
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass187.03031432
Monoisotopic Mass187.03031432
Topological Polar Surface Area74.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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