2-oxopropylphosphonous acid

C3H7O3P — CID 20532336

IUPAC2-oxopropylphosphonous acid
SMILESCC(=O)CP(O)O
InChIInChI=1S/C3H7O3P/c1-3(4)2-7(5)6/h5-6H,2H2,1H3
InChIKeyPMGKHIYGPAVPOR-UHFFFAOYSA-N
MW122.06 g/mol
LogP-0.13
Rot. Bonds2

About 2-oxopropylphosphonous acid

2-oxopropylphosphonous acid (PubChem CID 20532336) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is 2-oxopropylphosphonous acid.

Molecular Properties

Compound Name2-oxopropylphosphonous acid
PubChem CID20532336
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Name2-oxopropylphosphonous acid
SMILESCC(=O)CP(O)O
InChIInChI=1S/C3H7O3P/c1-3(4)2-7(5)6/h5-6H,2H2,1H3
InChIKeyPMGKHIYGPAVPOR-UHFFFAOYSA-N
XLogP-0.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 5-0.13
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-oxopropylphosphonous acid?
The IUPAC name of 2-oxopropylphosphonous acid (CID 20532336) is 2-oxopropylphosphonous acid.
What is the SMILES notation for 2-oxopropylphosphonous acid?
The canonical SMILES for 2-oxopropylphosphonous acid is CC(=O)CP(O)O.
What is the InChIKey of 2-oxopropylphosphonous acid?
The InChIKey is PMGKHIYGPAVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c1-3(4)2-7(5)6/h5-6H,2H2,1H3.
What are the key properties of 2-oxopropylphosphonous acid?
2-oxopropylphosphonous acid has a molecular weight of 122.06 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropylphosphonous acid is sourced from PubChem (CID 20532336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).