Carbethoxy pyrazole acid

• Catalog Number: ACM6402068
• Product Name: Carbethoxy pyrazole acid
• CAS: 6402-06-8
• Category: Main Products
• Synonyms: CID80814, EINECS 229-016-8, 3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester, 6402-06-8
• IUPAC Name: 4-(3-ethoxycarbonyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
• Molecular Weight: 312.30
• Molecular Formula: C₁₂H₁₂N₂O₆S
• Canonical SMILES: CCOC(=O)C1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O
• InChI Key: ODFCMJFINVPRFA-UHFFFAOYSA-N
• Density: 1.54g/cm³
• EC Number: 229-016-8
• Exact Mass: 312.04200
• H-Bond Acceptor: 7
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of Carbethoxy pyrazole acid?

The molecular formula of Carbethoxy pyrazole acid is C12H12N2O6S.

What are the synonyms of Carbethoxy pyrazole acid?

The synonyms of Carbethoxy pyrazole acid include Ethyl pyrazolone T, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester, and others listed in the reference.

What is the CAS number of Carbethoxy pyrazole acid?

The CAS number of Carbethoxy pyrazole acid is 6402-06-8.

What are the Computed Descriptors of Carbethoxy pyrazole acid?

The computed descriptors of Carbethoxy pyrazole acid include its IUPAC Name, InChI, InChIKey, and Canonical SMILES, as listed in the reference.

What is the molecular weight of Carbethoxy pyrazole acid?

The molecular weight of Carbethoxy pyrazole acid is 312.30g/mol.

How many hydrogen bond donor counts does Carbethoxy pyrazole acid have?

Carbethoxy pyrazole acid has one hydrogen bond donor count.

How many hydrogen bond acceptor counts does Carbethoxy pyrazole acid have?

Carbethoxy pyrazole acid has seven hydrogen bond acceptor counts.

How many rotatable bond counts does Carbethoxy pyrazole acid have?

Carbethoxy pyrazole acid has five rotatable bond counts.

What is the topological polar surface area of Carbethoxy pyrazole acid?

The topological polar surface area of Carbethoxy pyrazole acid is 122Ų.

How many heavy atom counts does Carbethoxy pyrazole acid have?

Carbethoxy pyrazole acid has 21 heavy atom counts.