1-(3,4-Dimethoxyphenyl)-2-nitropropane-1,3-diol

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)-2-nitropropane-1,3-diol
• CAS No.: 77834-68-5
• Molecular Formula: C11H15NO6
• DSSTox Substance ID: DTXSID60541626

Synonyms:1-(3,4-Dimethoxyphenyl)-2-nitropropane-1,3-diol;77834-68-5;SCHEMBL11073724;DTXSID60541626;ARDHFTUSPJXLIR-UHFFFAOYSA-N;1-(3,4-dimethoxyphenyl)-2-nitro-1,3-propanediol

Chemical Property of 1-(3,4-Dimethoxyphenyl)-2-nitropropane-1,3-diol

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 257.08993720
• Heavy Atom Count: 18
• Complexity: 269

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(C(CO)[N+](=O)[O-])O)OC

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