1H-Pyrrole-2-carboxylic acid, 4-(3-hydroxy-1-oxo-3-(1H-1,2,4-triazol-3-yl)-2-propenyl)-1-(phenylmethyl)-

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxylic acid, 4-(3-hydroxy-1-oxo-3-(1H-1,2,4-triazol-3-yl)-2-propenyl)-1-(phenylmethyl)-
• CAS No.: 280570-79-8
• Molecular Formula: C17H14 N4 O4
• Molecular Weight: 338.3175
• Mol file: 280570-79-8.mol

Synonyms:280570-79-8;1H-Pyrrole-2-carboxylic acid, 4-(3-hydroxy-1-oxo-3-(1H-1,2,4-triazol-3-yl)-2-propenyl)-1-(phenylmethyl)-;1H-Pyrrole-2-carboxylic acid, 4-[3-hydroxy-1-oxo-3-(1H-1,2,4-triazol-3-yl)-2-propenyl]-1-(phenylmethyl)-;1-benzyl-4-[(Z)-3-hydroxy-3-(1H-1,2,4-triazol-3-yl)prop-2-enoyl]pyrrole-2-carboxylic acid

Chemical Property of 1H-Pyrrole-2-carboxylic acid, 4-(3-hydroxy-1-oxo-3-(1H-1,2,4-triazol-3-yl)-2-propenyl)-1-(phenylmethyl)-

Chemical Property:

• Vapor Pressure: 1.03E-18mmHg at 25°C
• Boiling Point: 667.2°Cat760mmHg
• Flash Point: 357.3°C
• Density: 1.44g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 338.10150494
• Heavy Atom Count: 25
• Complexity: 533

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=C(C=C2C(=O)O)C(=CC(=O)C3=NC=NN3)O
• Isomeric SMILES: C1=CC=C(C=C1)CN2C=C(C=C2C(=O)O)/C(=C/C(=O)C3=NC=NN3)/O

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