5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid

• Catalog Number: ACM952569583
• Product Name: 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid
• CAS: 952569-58-3
• Category: Heterocyclic Organic Compound
• Synonyms: MolPort-005-981-143, CID821085, TC-066366, 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid, AQ-776/42801550, 5-ethoxycarbonyl-1H-pyrrole-2-carboxylic Acid, I14-5111, 952569-58-3
• IUPAC Name: 5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid
• Molecular Weight: 183.161360 [g/mol]
• Molecular Formula: C8H9NO4
• Canonical SMILES: CCOC(=O)C1=CC=C(N1)C(=O)O
• InChI Key: BMQLZHDFXVPFKX-UHFFFAOYSA-N
• Exact Mass: 183.05300
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The molecular formula is C8H9NO4.

What is the molecular weight of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The molecular weight is 183.16 g/mol.

What is the IUPAC name of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The IUPAC name is 5-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid.

What is the InChI of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The InChI is InChI=1S/C8H9NO4/c1-2-13-8(12)6-4-3-5(9-6)7(10)11/h3-4,9H,2H2,1H3,(H,10,11).

What is the InChIKey of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The InChIKey is BMQLZHDFXVPFKX-UHFFFAOYSA-N.

What is the canonical SMILES of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The canonical SMILES is CCOC(=O)C1=CC=C(N1)C(=O)O.

What is the CAS number of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The CAS number is 952569-58-3.

What is the XLogP3-AA value of 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid?

The XLogP3-AA value is 1.1.

Is 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid a covalently-bonded unit?

Yes, it is a covalently-bonded unit with a count of 1.