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

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

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

Canonical 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

H-Bond Donor

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.