2-methylpropanoic acid;phosphenous acid

C4H9O4P — CID 22447137

IUPAC2-methylpropanoic acid;phosphenous acid
SMILESCC(C)C(=O)O.O=PO
InChIInChI=1S/C4H8O2.HO2P/c1-3(2)4(5)6;1-3-2/h3H,1-2H3,(H,5,6);(H,1,2)
InChIKeyXXKQPOHIAMGATH-UHFFFAOYSA-N
MW152.09 g/mol
LogP0.91
Rot. Bonds1

About 2-methylpropanoic acid;phosphenous acid

2-methylpropanoic acid;phosphenous acid (PubChem CID 22447137) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is 2-methylpropanoic acid;phosphenous acid.

Molecular Properties

Compound Name2-methylpropanoic acid;phosphenous acid
PubChem CID22447137
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name2-methylpropanoic acid;phosphenous acid
SMILESCC(C)C(=O)O.O=PO
InChIInChI=1S/C4H8O2.HO2P/c1-3(2)4(5)6;1-3-2/h3H,1-2H3,(H,5,6);(H,1,2)
InChIKeyXXKQPOHIAMGATH-UHFFFAOYSA-N
XLogP0.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylpropanoic acid;phosphenous acid?
The IUPAC name of 2-methylpropanoic acid;phosphenous acid (CID 22447137) is 2-methylpropanoic acid;phosphenous acid.
What is the SMILES notation for 2-methylpropanoic acid;phosphenous acid?
The canonical SMILES for 2-methylpropanoic acid;phosphenous acid is CC(C)C(=O)O.O=PO.
What is the InChIKey of 2-methylpropanoic acid;phosphenous acid?
The InChIKey is XXKQPOHIAMGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.HO2P/c1-3(2)4(5)6;1-3-2/h3H,1-2H3,(H,5,6);(H,1,2).
What are the key properties of 2-methylpropanoic acid;phosphenous acid?
2-methylpropanoic acid;phosphenous acid has a molecular weight of 152.09 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;phosphenous acid is sourced from PubChem (CID 22447137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).