[diazo(methoxy)methyl]-methoxyphosphinic acid

C3H7N2O4P — CID 150405275

IUPAC[diazo(methoxy)methyl]-methoxyphosphinic acid
SMILESCOC(=[N+]=[N-])P(=O)(O)OC
InChIInChI=1S/C3H7N2O4P/c1-8-3(5-4)10(6,7)9-2/h1-2H3,(H,6,7)
InChIKeyHEPVPGVGBKOJIB-UHFFFAOYSA-N
MW166.07 g/mol
LogP0.05
Rot. Bonds2

About [diazo(methoxy)methyl]-methoxyphosphinic acid

[diazo(methoxy)methyl]-methoxyphosphinic acid (PubChem CID 150405275) has the molecular formula C3H7N2O4P and a molecular weight of 166.07 g/mol. Its IUPAC name is [diazo(methoxy)methyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[diazo(methoxy)methyl]-methoxyphosphinic acid
PubChem CID150405275
Molecular FormulaC3H7N2O4P
Molecular Weight166.07 g/mol
Exact Mass166.01
IUPAC Name[diazo(methoxy)methyl]-methoxyphosphinic acid
SMILESCOC(=[N+]=[N-])P(=O)(O)OC
InChIInChI=1S/C3H7N2O4P/c1-8-3(5-4)10(6,7)9-2/h1-2H3,(H,6,7)
InChIKeyHEPVPGVGBKOJIB-UHFFFAOYSA-N
XLogP0.05
TPSA92.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.07
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diazo(methoxy)methyl]-methoxyphosphinic acid?
The IUPAC name of [diazo(methoxy)methyl]-methoxyphosphinic acid (CID 150405275) is [diazo(methoxy)methyl]-methoxyphosphinic acid.
What is the SMILES notation for [diazo(methoxy)methyl]-methoxyphosphinic acid?
The canonical SMILES for [diazo(methoxy)methyl]-methoxyphosphinic acid is COC(=[N+]=[N-])P(=O)(O)OC.
What is the InChIKey of [diazo(methoxy)methyl]-methoxyphosphinic acid?
The InChIKey is HEPVPGVGBKOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O4P/c1-8-3(5-4)10(6,7)9-2/h1-2H3,(H,6,7).
What are the key properties of [diazo(methoxy)methyl]-methoxyphosphinic acid?
[diazo(methoxy)methyl]-methoxyphosphinic acid has a molecular weight of 166.07 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diazo(methoxy)methyl]-methoxyphosphinic acid is sourced from PubChem (CID 150405275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).