sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride

C8H8NaO4P — CID 175204073

IUPACsodium;[carboxy(phenyl)phosphanyl]formic acid;hydride
SMILESO=C(O)P(C(=O)O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H7O4P.Na.H/c9-7(10)13(8(11)12)6-4-2-1-3-5-6;;/h1-5H,(H,9,10)(H,11,12);;/q;+1;-1
InChIKeyADUJXXYBKPBASP-UHFFFAOYSA-N
MW222.11 g/mol
LogP-0.73
Rot. Bonds3

About sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride

sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride (PubChem CID 175204073) has the molecular formula C8H8NaO4P and a molecular weight of 222.11 g/mol. Its IUPAC name is sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride.

Molecular Properties

Compound Namesodium;[carboxy(phenyl)phosphanyl]formic acid;hydride
PubChem CID175204073
Molecular FormulaC8H8NaO4P
Molecular Weight222.11 g/mol
Exact Mass222.01
IUPAC Namesodium;[carboxy(phenyl)phosphanyl]formic acid;hydride
SMILESO=C(O)P(C(=O)O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H7O4P.Na.H/c9-7(10)13(8(11)12)6-4-2-1-3-5-6;;/h1-5H,(H,9,10)(H,11,12);;/q;+1;-1
InChIKeyADUJXXYBKPBASP-UHFFFAOYSA-N
XLogP-0.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 5-0.73
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

acetic acid;triphenylphosphane;hydrochloride
CID 87530977
diphenylphosphinous acid;hydrochloride
CID 67934097
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;octahydrochloride
CID 172751742
propan-2-one;triphenylphosphane;hydrate
CID 118484852
bis(1,1'-biphenyl);carbonic acid;bis(triphenylphosphane)
CID 173130885
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
gold(3+);triphenylphosphane;triacetate
CID 160881940
2-[carboxymethyl(phenyl)phosphanyl]acetic acid
CID 14029592

Frequently Asked Questions

What is the IUPAC name of sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride?
The IUPAC name of sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride (CID 175204073) is sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride.
What is the SMILES notation for sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride?
The canonical SMILES for sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride is O=C(O)P(C(=O)O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride?
The InChIKey is ADUJXXYBKPBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O4P.Na.H/c9-7(10)13(8(11)12)6-4-2-1-3-5-6;;/h1-5H,(H,9,10)(H,11,12);;/q;+1;-1.
What are the key properties of sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride?
sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride has a molecular weight of 222.11 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[carboxy(phenyl)phosphanyl]formic acid;hydride is sourced from PubChem (CID 175204073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).