2-(2-(Hydroxymethyl)-5-nitrophenyl)acetic acid

Base Information

• Chemical Name: 2-(2-(Hydroxymethyl)-5-nitrophenyl)acetic acid
• CAS No.: 1027507-63-6
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.17
• DSSTox Substance ID: DTXSID00440745
• Wikidata: Q82257133
• Mol file: 1027507-63-6.mol

Synonyms:1027507-63-6;2-(2-(HYDROXYMETHYL)-5-NITROPHENYL)ACETIC ACID;2-[2-(hydroxymethyl)-5-nitrophenyl]acetic acid;DTXSID00440745;2-(2-(HYDROXYMETHYL)-5-NITROPHENYL)ACETICACID

Chemical Property of 2-(2-(Hydroxymethyl)-5-nitrophenyl)acetic acid

Chemical Property:

• PKA: 3.98±0.10(Predicted)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)CO