Basic information
- CAS
6364-15-4- Standard SMILES
Nc1ccc(NC(=O)C(=O)O)c(S(=O)(=O)O)c1- InChIKey
SBPQKRDZOWFQJU-UHFFFAOYSA-N- Molecular formula
- C8H8N2O6S
- Average molar mass
- 260.23 g/mol
- Monoisotopic mass
- 260.01030715
Names & identifiers
- Preferred name
- ((4-Amino-2-sulphophenyl)amino)oxoacetic acid
- IUPAC
- 2-(4-amino-2-sulfoanilino)-2-oxoacetic acid
- English name
- [(4-amino-2-sulphophenyl)amino]oxoacetic acid
- Molecular formula
- C8H8N2O6S
- Molecular weight
- 260.22
Names & synonyms
6364-15-4((4-Amino-2-sulphophenyl)amino)oxoacetic acid2-(4-amino-2-sulfoanilino)-2-oxoacetic acid4RQU6FCK952-((4-Amino-2-sulfophenyl)amino)-2-oxoacetic acid((4-Amino-2-sulfophenyl)amino)oxoacetic acid2-[(4-Amino-2-sulfophenyl)amino]-2-oxoacetic acidEINECS 228-851-5UNII-4RQU6FCK95SCHEMBL8986206DTXSID80213015SBPQKRDZOWFQJU-UHFFFAOYSA-N
Show more names
4'-Amino-2'-sulfooxanilic acidN-(4-Amino-2-sulfophenyl)oxamidic acid[(4-amino-2-sulphophenyl)amino]oxoacetic acid3-(4-amino-2-sulfophenylamino)-2,3-dioxo propanoic acid
(4-Amino-2-sulfoanilino)(oxo)acetic acidNS000355162-(4-amino-2-sulphoanilino)-2-oxoacetic acid2-[(4-Amino-2-sulphophenyl)amino]-2-oxoacetic acidAcetic acid, 2-[(4-amino-2-sulfophenyl)amino]-2-oxo-Acetic acid, 2-[(4-amino-2-sulphophenyl)amino]-2-oxo-
Database identifiers
- CAS
6364-15-4- PubChem CID
- 80717
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- FDA UNII
- 4 RQU6FCK95 · 4RQU6FCK95
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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