disodium;2-hydroxy-2-(2-oxidophenyl)acetate

C8H6Na2O4 — CID 59574987

IUPACdisodium;2-hydroxy-2-(2-oxidophenyl)acetate
SMILESO=C([O-])C(O)c1ccccc1[O-].[Na+].[Na+]
InChIInChI=1S/C8H8O4.2Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;;/h1-4,7,9-10H,(H,11,12);;/q;2*+1/p-2
InChIKeyFAQVPUZKQWFIKQ-UHFFFAOYSA-L
MW212.11 g/mol
LogP-7.45
Rot. Bonds2

About disodium;2-hydroxy-2-(2-oxidophenyl)acetate

disodium;2-hydroxy-2-(2-oxidophenyl)acetate (PubChem CID 59574987) has the molecular formula C8H6Na2O4 and a molecular weight of 212.11 g/mol. Its IUPAC name is disodium;2-hydroxy-2-(2-oxidophenyl)acetate.

Molecular Properties

Compound Namedisodium;2-hydroxy-2-(2-oxidophenyl)acetate
PubChem CID59574987
Molecular FormulaC8H6Na2O4
Molecular Weight212.11 g/mol
Exact Mass212.01
IUPAC Namedisodium;2-hydroxy-2-(2-oxidophenyl)acetate
SMILESO=C([O-])C(O)c1ccccc1[O-].[Na+].[Na+]
InChIInChI=1S/C8H8O4.2Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;;/h1-4,7,9-10H,(H,11,12);;/q;2*+1/p-2
InChIKeyFAQVPUZKQWFIKQ-UHFFFAOYSA-L
XLogP-7.45
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 5-7.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
CID 70117945
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
sodium 2-(1,1,3-trimethoxy-3-oxopropan-2-yl)phenolate
CID 144761323
disodium;2-(2-oxidophenyl)acetate
CID 14326222
calcium bis(2-propan-2-ylphenolate)
CID 21315928
lithium;bis[(2-hydroxy-2-phenylacetyl)oxy]boranyl 2-hydroxy-2-phenylacetate;2-hydroxy-2-phenylacetate
CID 141072563
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
disodium;hydrogen carbonate;2-phenylphenolate
CID 159083163
chloranium 2,2-diphenylacetate
CID 162326731
2-(2-chlorophenyl)butanoate
CID 22456439

Frequently Asked Questions

What is the IUPAC name of disodium;2-hydroxy-2-(2-oxidophenyl)acetate?
The IUPAC name of disodium;2-hydroxy-2-(2-oxidophenyl)acetate (CID 59574987) is disodium;2-hydroxy-2-(2-oxidophenyl)acetate.
What is the SMILES notation for disodium;2-hydroxy-2-(2-oxidophenyl)acetate?
The canonical SMILES for disodium;2-hydroxy-2-(2-oxidophenyl)acetate is O=C([O-])C(O)c1ccccc1[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-hydroxy-2-(2-oxidophenyl)acetate?
The InChIKey is FAQVPUZKQWFIKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8O4.2Na/c9-6-4-2-1-3-5(6)7(10)8(11)12;;/h1-4,7,9-10H,(H,11,12);;/q;2*+1/p-2.
What are the key properties of disodium;2-hydroxy-2-(2-oxidophenyl)acetate?
disodium;2-hydroxy-2-(2-oxidophenyl)acetate has a molecular weight of 212.11 g/mol, XLogP of -7.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-hydroxy-2-(2-oxidophenyl)acetate is sourced from PubChem (CID 59574987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).