hydron;2-hydroxy-2-oxoacetate

C2H2O4 — CID 173323775

IUPAChydron;2-hydroxy-2-oxoacetate
SMILESO=C([O-])C(=O)O.[H+]
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-N
MW90.03 g/mol
LogP-2.07
Rot. Bonds

About hydron;2-hydroxy-2-oxoacetate

hydron;2-hydroxy-2-oxoacetate (PubChem CID 173323775) has the molecular formula C2H2O4 and a molecular weight of 90.03 g/mol. Its IUPAC name is hydron;2-hydroxy-2-oxoacetate.

Molecular Properties

Compound Namehydron;2-hydroxy-2-oxoacetate
PubChem CID173323775
Molecular FormulaC2H2O4
Molecular Weight90.03 g/mol
Exact Mass90.00
IUPAC Namehydron;2-hydroxy-2-oxoacetate
SMILESO=C([O-])C(=O)O.[H+]
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-N
XLogP-2.07
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.03
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

azane;hydron;2-hydroxy-2-oxoacetate
CID 173005395
bis(2-hydroxy-2-oxoacetate);oxotitanium
CID 50910318
sodium;2-hydroxy-2-oxoacetate;hydrochloride
CID 141113765
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
dipotassium;2-hydroxy-2-oxoacetate;nitrite
CID 176892574
dicesium;oxalate;oxalic acid
CID 139047243
dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate
CID 159492381
sodium;2-hydroxy-2-oxoacetate;phosphoric acid
CID 159452924
decapotassium;carbonic acid;pentacarbonate
CID 173334932
hydron;oxalate;rubidium(1+)
CID 18408012
icosapotassium;carbonic acid;hydrogen carbonate
CID 173305158
barium(2+);hydron;oxalate
CID 173256808

Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxy-2-oxoacetate?
The IUPAC name of hydron;2-hydroxy-2-oxoacetate (CID 173323775) is hydron;2-hydroxy-2-oxoacetate.
What is the SMILES notation for hydron;2-hydroxy-2-oxoacetate?
The canonical SMILES for hydron;2-hydroxy-2-oxoacetate is O=C([O-])C(=O)O.[H+].
What is the InChIKey of hydron;2-hydroxy-2-oxoacetate?
The InChIKey is MUBZPKHOEPUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6).
What are the key properties of hydron;2-hydroxy-2-oxoacetate?
hydron;2-hydroxy-2-oxoacetate has a molecular weight of 90.03 g/mol, XLogP of -2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-hydroxy-2-oxoacetate is sourced from PubChem (CID 173323775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).