CAS
94159-49-6 Purity
96%
94159-49-6 Purity
96%
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Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate
CAS
94159-56-5
Catalog Number
ACM94159565
Category
Other Products
Molecular Weight
343.223620 [g/mol]
Molecular Formula
C10H7N3Na2O6S
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Specification
Synonyms
EINECS 303-237-0, CID11971312, Disodium 1-(4-amino-2-sulphonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate, 94159-56-5
IUPAC Name
disodium 1-(4-amino-2-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate
SMILES
C1C(=NN(C1=O)C2=C(C=C(C=C2)N)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI Key
VCXXGDQXGMEADB-UHFFFAOYSA-L
EC Number
303-237-0
Exact Mass
342.98500
H-Bond Acceptor
8
H-Bond Donor
1
What is the molecular formula of Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
The molecular formula is C10H7N3Na2O6S.
When was Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate created and last modified?
It was created on 2006-12-27 and last modified on 2023-12-30.
What is the IUPAC name of Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
The IUPAC name is disodium;1-(4-amino-2-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate.
What is the molecular weight of Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
The molecular weight is 343.23 g/mol.
What are some synonyms for Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
Some synonyms include 94159-56-5, DISODIUM 1-(4-AMINO-2-SULFONATOPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOLE-3-CARBOXYLATE, and Q71D3C9357.
What are the InChI and InChIKey for Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
The InChI is InChI=1S/C10H9N3O6S.2Na/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16;;/h1-3H,4,11H2,(H,15,16)(H,17,18,19);;/q;2*+1/p-2 and the InChIKey is VCXXGDQXGMEADB-UHFFFAOYSA-L.
What is the Canonical SMILES of Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
The Canonical SMILES is C1C(=NN(C1=O)C2=C(C=C(C=C2)N)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].
What is the CAS number for Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
The CAS number is 94159-56-5.
How many hydrogen bond acceptors does Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate have?
It has 8 hydrogen bond acceptors.
What is the topological polar surface area of Disodium 1-(4-amino-2-sulfonatophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylate?
The topological polar surface area is 164?2.
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