cyanomethoxy-hydroxy-oxophosphanium

C2H3NO3P+ — CID 87169800

IUPACcyanomethoxy-hydroxy-oxophosphanium
SMILESN#CCO[P+](=O)O
InChIInChI=1S/C2H2NO3P/c3-1-2-6-7(4)5/h2H2/p+1
InChIKeyUUYYJWFAHPQMJY-UHFFFAOYSA-O
MW120.02 g/mol
LogP0.18
Rot. Bonds2

About cyanomethoxy-hydroxy-oxophosphanium

cyanomethoxy-hydroxy-oxophosphanium (PubChem CID 87169800) has the molecular formula C2H3NO3P+ and a molecular weight of 120.02 g/mol. Its IUPAC name is cyanomethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namecyanomethoxy-hydroxy-oxophosphanium
PubChem CID87169800
Molecular FormulaC2H3NO3P+
Molecular Weight120.02 g/mol
Exact Mass119.98
IUPAC Namecyanomethoxy-hydroxy-oxophosphanium
SMILESN#CCO[P+](=O)O
InChIInChI=1S/C2H2NO3P/c3-1-2-6-7(4)5/h2H2/p+1
InChIKeyUUYYJWFAHPQMJY-UHFFFAOYSA-O
XLogP0.18
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.02
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanomethoxy-hydroxy-oxophosphanium?
The IUPAC name of cyanomethoxy-hydroxy-oxophosphanium (CID 87169800) is cyanomethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for cyanomethoxy-hydroxy-oxophosphanium?
The canonical SMILES for cyanomethoxy-hydroxy-oxophosphanium is N#CCO[P+](=O)O.
What is the InChIKey of cyanomethoxy-hydroxy-oxophosphanium?
The InChIKey is UUYYJWFAHPQMJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H2NO3P/c3-1-2-6-7(4)5/h2H2/p+1.
What are the key properties of cyanomethoxy-hydroxy-oxophosphanium?
cyanomethoxy-hydroxy-oxophosphanium has a molecular weight of 120.02 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87169800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).