2-nitrosoethylphosphonic acid

C2H6NO4P — CID 88729082

IUPAC2-nitrosoethylphosphonic acid
SMILESO=NCCP(=O)(O)O
InChIInChI=1S/C2H6NO4P/c4-3-1-2-8(5,6)7/h1-2H2,(H2,5,6,7)
InChIKeyDAIDSQMRPCQBAT-UHFFFAOYSA-N
MW139.05 g/mol
LogP-0.07
Rot. Bonds3

About 2-nitrosoethylphosphonic acid

2-nitrosoethylphosphonic acid (PubChem CID 88729082) has the molecular formula C2H6NO4P and a molecular weight of 139.05 g/mol. Its IUPAC name is 2-nitrosoethylphosphonic acid.

Molecular Properties

Compound Name2-nitrosoethylphosphonic acid
PubChem CID88729082
Molecular FormulaC2H6NO4P
Molecular Weight139.05 g/mol
Exact Mass139.00
IUPAC Name2-nitrosoethylphosphonic acid
SMILESO=NCCP(=O)(O)O
InChIInChI=1S/C2H6NO4P/c4-3-1-2-8(5,6)7/h1-2H2,(H2,5,6,7)
InChIKeyDAIDSQMRPCQBAT-UHFFFAOYSA-N
XLogP-0.07
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.05
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
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 2-nitrosoethylphosphonic acid?
The IUPAC name of 2-nitrosoethylphosphonic acid (CID 88729082) is 2-nitrosoethylphosphonic acid.
What is the SMILES notation for 2-nitrosoethylphosphonic acid?
The canonical SMILES for 2-nitrosoethylphosphonic acid is O=NCCP(=O)(O)O.
What is the InChIKey of 2-nitrosoethylphosphonic acid?
The InChIKey is DAIDSQMRPCQBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO4P/c4-3-1-2-8(5,6)7/h1-2H2,(H2,5,6,7).
What are the key properties of 2-nitrosoethylphosphonic acid?
2-nitrosoethylphosphonic acid has a molecular weight of 139.05 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosoethylphosphonic acid is sourced from PubChem (CID 88729082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).