methylphosphonic acid;dihydrochloride

CH7Cl2O3P — CID 87344491

IUPACmethylphosphonic acid;dihydrochloride
SMILESCP(=O)(O)O.Cl.Cl
InChIInChI=1S/CH5O3P.2ClH/c1-5(2,3)4;;/h1H3,(H2,2,3,4);2*1H
InChIKeyRIKFFJJHWCSHKF-UHFFFAOYSA-N
MW168.94 g/mol
LogP0.64
Rot. Bonds

About methylphosphonic acid;dihydrochloride

methylphosphonic acid;dihydrochloride (PubChem CID 87344491) has the molecular formula CH7Cl2O3P and a molecular weight of 168.94 g/mol. Its IUPAC name is methylphosphonic acid;dihydrochloride.

Molecular Properties

Compound Namemethylphosphonic acid;dihydrochloride
PubChem CID87344491
Molecular FormulaCH7Cl2O3P
Molecular Weight168.94 g/mol
Exact Mass167.95
IUPAC Namemethylphosphonic acid;dihydrochloride
SMILESCP(=O)(O)O.Cl.Cl
InChIInChI=1S/CH5O3P.2ClH/c1-5(2,3)4;;/h1H3,(H2,2,3,4);2*1H
InChIKeyRIKFFJJHWCSHKF-UHFFFAOYSA-N
XLogP0.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.94
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylphosphonic acid;dihydrochloride?
The IUPAC name of methylphosphonic acid;dihydrochloride (CID 87344491) is methylphosphonic acid;dihydrochloride.
What is the SMILES notation for methylphosphonic acid;dihydrochloride?
The canonical SMILES for methylphosphonic acid;dihydrochloride is CP(=O)(O)O.Cl.Cl.
What is the InChIKey of methylphosphonic acid;dihydrochloride?
The InChIKey is RIKFFJJHWCSHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O3P.2ClH/c1-5(2,3)4;;/h1H3,(H2,2,3,4);2*1H.
What are the key properties of methylphosphonic acid;dihydrochloride?
methylphosphonic acid;dihydrochloride has a molecular weight of 168.94 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphonic acid;dihydrochloride is sourced from PubChem (CID 87344491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).