Basic information
- CAS
70616-71-6- Standard SMILES
Nc1ccc(N2N=C(C(=O)O)CC2=O)c(S(=O)(=O)O)c1- InChIKey
WXQMQGBHEYGHMN-UHFFFAOYSA-N- Molecular formula
- C10H9N3O6S
- Average molar mass
- 299.26 g/mol
- Monoisotopic mass
- 299.02120619
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-
- IUPAC
- 1-(4-amino-2-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
- English name
- 1-(4-amino-2-sulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C10H9N3O6S
- Molecular weight
- 299.26
Names & synonyms
70616-71-61H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-EINECS 274-699-8DTXSID40720771-(4-Amino-2-sulfophenyl)-3-carboxy-5-pyrazoloneRefChem:438985DTXCID10467101-(4-Amino-2-sulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acidWXQMQGBHEYGHMN-UHFFFAOYSA-N1-(4-Amino-2-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acidNS000370711-(4-Amino-2-sulfophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
Database identifiers
- CAS
70616-71-6- PubChem CID
- 112435
- DTXSID
DTXSID4072077- EC Number
- 274-699-8
- Nikkaji
- J288.738J
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- EPA Substance Registry System
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo- (70616-71-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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