potassium cyanomethyl hydrogen phosphate

C2H3KNO4P — CID 23715241

IUPACpotassium cyanomethyl hydrogen phosphate
SMILESN#CCOP(=O)([O-])O.[K+]
InChIInChI=1S/C2H4NO4P.K/c3-1-2-7-8(4,5)6;/h2H2,(H2,4,5,6);/q;+1/p-1
InChIKeyFXQSYKLLQKLBFM-UHFFFAOYSA-M
MW175.12 g/mol
LogP-4.01
Rot. Bonds2

About potassium cyanomethyl hydrogen phosphate

potassium cyanomethyl hydrogen phosphate (PubChem CID 23715241) has the molecular formula C2H3KNO4P and a molecular weight of 175.12 g/mol. Its IUPAC name is potassium cyanomethyl hydrogen phosphate.

Molecular Properties

Compound Namepotassium cyanomethyl hydrogen phosphate
PubChem CID23715241
Molecular FormulaC2H3KNO4P
Molecular Weight175.12 g/mol
Exact Mass174.94
IUPAC Namepotassium cyanomethyl hydrogen phosphate
SMILESN#CCOP(=O)([O-])O.[K+]
InChIInChI=1S/C2H4NO4P.K/c3-1-2-7-8(4,5)6;/h2H2,(H2,4,5,6);/q;+1/p-1
InChIKeyFXQSYKLLQKLBFM-UHFFFAOYSA-M
XLogP-4.01
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 5-4.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium cyanomethyl hydrogen phosphate?
The IUPAC name of potassium cyanomethyl hydrogen phosphate (CID 23715241) is potassium cyanomethyl hydrogen phosphate.
What is the SMILES notation for potassium cyanomethyl hydrogen phosphate?
The canonical SMILES for potassium cyanomethyl hydrogen phosphate is N#CCOP(=O)([O-])O.[K+].
What is the InChIKey of potassium cyanomethyl hydrogen phosphate?
The InChIKey is FXQSYKLLQKLBFM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4NO4P.K/c3-1-2-7-8(4,5)6;/h2H2,(H2,4,5,6);/q;+1/p-1.
What are the key properties of potassium cyanomethyl hydrogen phosphate?
potassium cyanomethyl hydrogen phosphate has a molecular weight of 175.12 g/mol, XLogP of -4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyanomethyl hydrogen phosphate is sourced from PubChem (CID 23715241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).