1,4-Dimethyl 2-phosphonobutanedioate

Base Information

• Chemical Name: 1,4-Dimethyl 2-phosphonobutanedioate
• CAS No.: 67622-93-9
• Molecular Formula: C6H11O7P
• Molecular Weight: 226.123
• DSSTox Substance ID: DTXSID001289148

Synonyms:SCHEMBL8645510;DTXSID001289148;1,4-Dimethyl 2-phosphonobutanedioate;67622-93-9

Chemical Property of 1,4-Dimethyl 2-phosphonobutanedioate

Chemical Property:

• XLogP3: -1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 226.02423968
• Heavy Atom Count: 14
• Complexity: 267

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC(C(=O)OC)P(=O)(O)O

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