sodium 2-methoxy-2-phenylacetate

C9H9NaO3 — CID 23687864

IUPACsodium 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)[O-])c1ccccc1.[Na+]
InChIInChI=1S/C9H10O3.Na/c1-12-8(9(10)11)7-5-3-2-4-6-7;/h2-6,8H,1H3,(H,10,11);/q;+1/p-1
InChIKeyNRZBUZXERCBSTA-UHFFFAOYSA-M
MW188.16 g/mol
LogP-2.87
Rot. Bonds3

About sodium 2-methoxy-2-phenylacetate

sodium 2-methoxy-2-phenylacetate (PubChem CID 23687864) has the molecular formula C9H9NaO3 and a molecular weight of 188.16 g/mol. Its IUPAC name is sodium 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Namesodium 2-methoxy-2-phenylacetate
PubChem CID23687864
Molecular FormulaC9H9NaO3
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Namesodium 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)[O-])c1ccccc1.[Na+]
InChIInChI=1S/C9H10O3.Na/c1-12-8(9(10)11)7-5-3-2-4-6-7;/h2-6,8H,1H3,(H,10,11);/q;+1/p-1
InChIKeyNRZBUZXERCBSTA-UHFFFAOYSA-M
XLogP-2.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-2.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methoxy-2-phenylacetate?
The IUPAC name of sodium 2-methoxy-2-phenylacetate (CID 23687864) is sodium 2-methoxy-2-phenylacetate.
What is the SMILES notation for sodium 2-methoxy-2-phenylacetate?
The canonical SMILES for sodium 2-methoxy-2-phenylacetate is COC(C(=O)[O-])c1ccccc1.[Na+].
What is the InChIKey of sodium 2-methoxy-2-phenylacetate?
The InChIKey is NRZBUZXERCBSTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3.Na/c1-12-8(9(10)11)7-5-3-2-4-6-7;/h2-6,8H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-methoxy-2-phenylacetate?
sodium 2-methoxy-2-phenylacetate has a molecular weight of 188.16 g/mol, XLogP of -2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxy-2-phenylacetate is sourced from PubChem (CID 23687864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).