1H-pyrrole-3-carboxylate

Base Information

• Chemical Name: 1H-pyrrole-3-carboxylate
• CAS No.: 336100-46-0
• Molecular Formula: C5H5NO2.xH2O
• Molecular Weight: 111.09900
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID80955241
• Wikidata: Q72505051
• Mol file: 336100-46-0.mol

Synonyms:1H-pyrrole-3-carboxylate;DTXSID80955241

Chemical Property of 1H-pyrrole-3-carboxylate

Chemical Property:

• Vapor Pressure: 3.35E-05mmHg at 25°C
• Melting Point: 144-147ºC
• Boiling Point: 340.3ºC at 760 mmHg。 产品描述 安全性：
• PKA: 5.00(at 20℃)
• Flash Point: 159.6ºC
• PSA: 53.09000
• Density: 1.383 g/cm3
• LogP: 0.71290
• Water Solubility.: soluble
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.024203370
• Heavy Atom Count: 8
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

1-H-Pyrrole-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC=C1C(=O)[O-]