sodium ethoxycarbonyl(phenoxy)phosphinate

C9H10NaO5P — CID 23679408

IUPACsodium ethoxycarbonyl(phenoxy)phosphinate
SMILESCCOC(=O)P(=O)([O-])Oc1ccccc1.[Na+]
InChIInChI=1S/C9H11O5P.Na/c1-2-13-9(10)15(11,12)14-8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyCOITVUUYZWVCSY-UHFFFAOYSA-M
MW252.14 g/mol
LogP-1.22
Rot. Bonds4

About sodium ethoxycarbonyl(phenoxy)phosphinate

sodium ethoxycarbonyl(phenoxy)phosphinate (PubChem CID 23679408) has the molecular formula C9H10NaO5P and a molecular weight of 252.14 g/mol. Its IUPAC name is sodium ethoxycarbonyl(phenoxy)phosphinate.

Molecular Properties

Compound Namesodium ethoxycarbonyl(phenoxy)phosphinate
PubChem CID23679408
Molecular FormulaC9H10NaO5P
Molecular Weight252.14 g/mol
Exact Mass252.02
IUPAC Namesodium ethoxycarbonyl(phenoxy)phosphinate
SMILESCCOC(=O)P(=O)([O-])Oc1ccccc1.[Na+]
InChIInChI=1S/C9H11O5P.Na/c1-2-13-9(10)15(11,12)14-8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyCOITVUUYZWVCSY-UHFFFAOYSA-M
XLogP-1.22
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
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 sodium ethoxycarbonyl(phenoxy)phosphinate?
The IUPAC name of sodium ethoxycarbonyl(phenoxy)phosphinate (CID 23679408) is sodium ethoxycarbonyl(phenoxy)phosphinate.
What is the SMILES notation for sodium ethoxycarbonyl(phenoxy)phosphinate?
The canonical SMILES for sodium ethoxycarbonyl(phenoxy)phosphinate is CCOC(=O)P(=O)([O-])Oc1ccccc1.[Na+].
What is the InChIKey of sodium ethoxycarbonyl(phenoxy)phosphinate?
The InChIKey is COITVUUYZWVCSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O5P.Na/c1-2-13-9(10)15(11,12)14-8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium ethoxycarbonyl(phenoxy)phosphinate?
sodium ethoxycarbonyl(phenoxy)phosphinate has a molecular weight of 252.14 g/mol, XLogP of -1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethoxycarbonyl(phenoxy)phosphinate is sourced from PubChem (CID 23679408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).