CAS
94236-82-5 Purity
96%
94236-82-5 Purity
96%
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3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid
CAS
94236-86-9
Catalog Number
ACM94236869
Category
Other Products
Molecular Weight
352.32258
Molecular Formula
C13H12N4O6S
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Specification
Synonyms
EINECS 304-083-7, 3-((2,4-Diaminophenyl)azo)-5-sulphosalicylic acid, 94236-86-9
IUPAC Name
(5E)-5-[(2,4-diaminophenyl)hydrazinylidene]-6-oxo-3-sulfocyclohexa-1,3-diene-1-carboxylic acid
Canonical SMILES
C1=CC(=C(C=C1N)N)NN=C2C=C(C=C(C2=O)C(=O)O)S(=O)(=O)O
InChI Key
BMUWSQUWCLVNPS-GZTJUZNOSA-N
Density
1.78g/cm³
EC Number
304-083-7
H-Bond Acceptor
10
H-Bond Donor
5
What is the molecular formula of 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
The molecular formula is C13H12N4O6S.
What is the molecular weight of 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
The molecular weight is 352.32 g/mol.
What is the IUPAC name of 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
The IUPAC name is 3-[(2,4-diaminophenyl)diazenyl]-2-hydroxy-5-sulfobenzoic acid.
What is the Canonical SMILES of 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
The Canonical SMILES is C1=CC(=C(C=C1N)N)N=NC2=CC(=CC(=C2O)C(=O)O)S(=O)(=O)O.
What is the InChIKey of 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
The InChIKey is NIBIQWLKEOSZCH-UHFFFAOYSA-N.
What is the CAS number of 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
The CAS number is 94236-86-9.
How many hydrogen bond donor counts are present in 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
There are 5 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are present in 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
There are 10 hydrogen bond acceptor counts.
What is the topological polar surface area of 3-[(2,4-Diaminophenyl)azo]-5-sulfosalicylic acid?
The topological polar surface area is 197 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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