magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride

C9H12MgO4P+ — CID 175003735

IUPACmagnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride
SMILESO=C(O)CCc1ccccc1[P+](=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H9O4P.Mg.2H/c10-9(11)6-5-7-3-1-2-4-8(7)14(12)13;;;/h1-4H,5-6H2,(H-,10,11,12,13);;;/q;+2;2*-1/p+1
InChIKeyATMMTBMYLUMFLX-UHFFFAOYSA-O
MW239.47 g/mol
LogP0.91
Rot. Bonds4

About magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride

magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride (PubChem CID 175003735) has the molecular formula C9H12MgO4P+ and a molecular weight of 239.47 g/mol. Its IUPAC name is magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride.

Molecular Properties

Compound Namemagnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride
PubChem CID175003735
Molecular FormulaC9H12MgO4P+
Molecular Weight239.47 g/mol
Exact Mass239.03
IUPAC Namemagnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride
SMILESO=C(O)CCc1ccccc1[P+](=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H9O4P.Mg.2H/c10-9(11)6-5-7-3-1-2-4-8(7)14(12)13;;;/h1-4H,5-6H2,(H-,10,11,12,13);;;/q;+2;2*-1/p+1
InChIKeyATMMTBMYLUMFLX-UHFFFAOYSA-O
XLogP0.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
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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Related Compounds

hydroxy-oxo-(2-propylphenyl)phosphanium
CID 66861810
3-[2-(2-sulfanylethyl)phenyl]propanoic acid
CID 130239903
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-(2-carbonochloridoylphenyl)propanoic acid
CID 45081979
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
3-[2-(5-hydroxypentyl)phenyl]propanoic acid
CID 19921971
3-(2-phenylsulfanylphenyl)propanoic acid
CID 12551986
3-[2-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680238
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372
lanthanum;3-phenylpropanoic acid
CID 174887955
3-[2-(1-hydroxycyclopropyl)phenyl]propanoic acid
CID 117114834
3-[2-(diethylamino)phenyl]propanoic acid
CID 28807035

Frequently Asked Questions

What is the IUPAC name of magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride?
The IUPAC name of magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride (CID 175003735) is magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride.
What is the SMILES notation for magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride?
The canonical SMILES for magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride is O=C(O)CCc1ccccc1[P+](=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride?
The InChIKey is ATMMTBMYLUMFLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9O4P.Mg.2H/c10-9(11)6-5-7-3-1-2-4-8(7)14(12)13;;;/h1-4H,5-6H2,(H-,10,11,12,13);;;/q;+2;2*-1/p+1.
What are the key properties of magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride?
magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride has a molecular weight of 239.47 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride is sourced from PubChem (CID 175003735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).