propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium

C9H14O6P+ — CID 175329963

IUPACpropanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium
SMILESCCC(=O)O.Oc1cccc([P+](O)(O)O)c1
InChIInChI=1S/C6H7O4P.C3H6O2/c7-5-2-1-3-6(4-5)11(8,9)10;1-2-3(4)5/h1-4,8-10H;2H2,1H3,(H,4,5)/p+1
InChIKeyRQUMMZHBMJULLK-UHFFFAOYSA-O
MW249.18 g/mol
LogP0.24
Rot. Bonds2

About propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium

propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium (PubChem CID 175329963) has the molecular formula C9H14O6P+ and a molecular weight of 249.18 g/mol. Its IUPAC name is propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium.

Molecular Properties

Compound Namepropanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium
PubChem CID175329963
Molecular FormulaC9H14O6P+
Molecular Weight249.18 g/mol
Exact Mass249.05
IUPAC Namepropanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium
SMILESCCC(=O)O.Oc1cccc([P+](O)(O)O)c1
InChIInChI=1S/C6H7O4P.C3H6O2/c7-5-2-1-3-6(4-5)11(8,9)10;1-2-3(4)5/h1-4,8-10H;2H2,1H3,(H,4,5)/p+1
InChIKeyRQUMMZHBMJULLK-UHFFFAOYSA-O
XLogP0.24
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium?
The IUPAC name of propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium (CID 175329963) is propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium.
What is the SMILES notation for propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium?
The canonical SMILES for propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium is CCC(=O)O.Oc1cccc([P+](O)(O)O)c1.
What is the InChIKey of propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium?
The InChIKey is RQUMMZHBMJULLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7O4P.C3H6O2/c7-5-2-1-3-6(4-5)11(8,9)10;1-2-3(4)5/h1-4,8-10H;2H2,1H3,(H,4,5)/p+1.
What are the key properties of propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium?
propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium has a molecular weight of 249.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;trihydroxy-(3-hydroxyphenyl)phosphanium is sourced from PubChem (CID 175329963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).