Carbethoxy pyrazole acid

CAS

6402-06-8

Catalog Number

ACM6402068

Category

Main Products

Molecular Weight

312.30

Molecular Formula

C₁₂H₁₂N₂O₆S

MSDS COA Spec Sheet

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Specification

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

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

H-Bond Donor

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.