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Policresulen Impurity 10

CAT: 1299-RM-P150910-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P150910-01Size:10 mg
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CAS Number
2835-04-3
Synonyms
5-amino-2-hydroxybenzenesulfonic acid
Molecular Formula
C6H7NO4S
Molecular Weight
189.19
Target Alternative Name
Policresulen

Chemical Information

5-Amino-2-hydroxybenzenesulphonic acid
CAS Number2835-04-3
PubChem CID76076
IUPAC Name5-amino-2-hydroxybenzenesulfonic acid
Molecular FormulaC6H7NO4S
Molecular Weight189.19
XLogP-0.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity245
SMILES
C1=CC(=C(C=C1N)S(=O)(=O)O)O
InChI
InChI=1S/C6H7NO4S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)
InChIKey
SILINKWDNDDXTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-2-hydroxybenzenesulphonic acid
CAS: 2835-04-3
CID: 76076
Formula: C6H7NO4S
MW: 189.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.19
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass189.00957888
Monoisotopic Mass189.00957888
Topological Polar Surface Area109 Ų
Heavy Atom Count12
Formal Charge0
Complexity245
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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Alternative Products

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