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6939-89-5,MFCD00040590
Catalog No.:AA003HUP
6939-89-5 | 2-SULFOBENZOIC ACID MONOAMMONIUM SALT
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10g
98%
1 week  
$84.00   $59.00
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50g
98%
1 week  
$138.00   $97.00
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100g
98%
1 week  
$179.00   $125.00
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Technical Information
Catalog Number:
AA003HUP
Chemical Name:
2-SULFOBENZOIC ACID MONOAMMONIUM SALT
CAS Number:
6939-89-5
Molecular Formula:
C7H9NO5S
Molecular Weight:
219.2151
MDL Number:
MFCD00040590
IUPAC Name:
azane;2-sulfobenzoic acid
InChI:
InChI=1S/C7H6O5S.H3N/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H3
InChI Key:
PJGXSCHDOCZUNR-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1ccccc1S(=O)(=O)O.[NH4+]
EC Number:
230-077-8
NSC Number:
38710
Properties
Computed Properties
 
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.211g/mol
Monoisotopic Mass:
219.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
6939-89-5 
Ammonium o-sulfobenzoic acid 
Benzoic acid, monoammonium salt 
SCHEMBL5188962 
2-sulfobenzoic acid, ammonia salt 
Benzoic acid, S-monoammonium salt 
NSC38710 
7854AF 
NSC-38710 
AKOS017344463 
AK487221 
Benzoic acid,2-sulfo-,ammonium salt(1:1) 
Ammonium o-carboxybenzenesulfonate 
A836475 
Ammonium-o-sulfobenzoic Acid 
C7H6O5S.H3N 
Ammonium hydrogen 2-sulphobenzoate 
C7-H6-O5-S.H3-N 
EINECS 230-077-8 
NSC 38710 
2-SULFOBENZOICACIDMONOAMMONIUMSALT 
Benzoic acid, 2-sulfo-, monoammonium salt 
Benzoic acid, o-sulfo-, S-monoammonium salt 
o-Sulfobenzoic acid, ammonium salt 
Benzoic acid, 2-sulfo-, ammonium salt (1:1) 
2-Sulfobenzoic Acid Monoammonium Salt 
azane; 2-sulfobenzoic acid 
2-sulfobenzoic acid ammonium salt 
ammonia; 2-sulfobenzoic acid 
PubChem12651 
C7H6O5S.NH3 
Literature
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