[2-Hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid

Base Information

• Chemical Name: [2-Hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid
• CAS No.: 87277-91-6
• Molecular Formula: C5H10N3O4P
• Molecular Weight: 207.12400
• European Community (EC) Number: 959-384-1
• ChEMBL ID: CHEMBL50542
• DSSTox Substance ID: DTXSID30527992
• Nikkaji Number: J670.556A

Synonyms:87277-91-6;[2-Hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid;SCHEMBL10883849;DTXSID30527992

Chemical Property of [2-Hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid

Chemical Property:

• PSA: 118.28000
• LogP: -1.18330
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 207.04089281
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN(C=N1)CC(CP(=O)(O)O)O

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