sodium;2-hydroxy-2-oxoacetate;hydrochloride

C2H2ClNaO4 — CID 141113765

IUPACsodium;2-hydroxy-2-oxoacetate;hydrochloride
SMILESCl.O=C([O-])C(=O)O.[Na+]
InChIInChI=1S/C2H2O4.ClH.Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H;/q;;+1/p-1
InChIKeyMVTYCFQIEQHIGB-UHFFFAOYSA-M
MW148.48 g/mol
LogP-4.75
Rot. Bonds

About sodium;2-hydroxy-2-oxoacetate;hydrochloride

sodium;2-hydroxy-2-oxoacetate;hydrochloride (PubChem CID 141113765) has the molecular formula C2H2ClNaO4 and a molecular weight of 148.48 g/mol. Its IUPAC name is sodium;2-hydroxy-2-oxoacetate;hydrochloride.

Molecular Properties

Compound Namesodium;2-hydroxy-2-oxoacetate;hydrochloride
PubChem CID141113765
Molecular FormulaC2H2ClNaO4
Molecular Weight148.48 g/mol
Exact Mass147.95
IUPAC Namesodium;2-hydroxy-2-oxoacetate;hydrochloride
SMILESCl.O=C([O-])C(=O)O.[Na+]
InChIInChI=1S/C2H2O4.ClH.Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H;/q;;+1/p-1
InChIKeyMVTYCFQIEQHIGB-UHFFFAOYSA-M
XLogP-4.75
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.48
LogP ≤ 5-4.75
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

hydron;2-hydroxy-2-oxoacetate
CID 173323775
azane;hydron;2-hydroxy-2-oxoacetate
CID 173005395
bis(2-hydroxy-2-oxoacetate);oxotitanium
CID 50910318
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
sodium;2-hydroxy-2-oxoacetate;phosphoric acid
CID 159452924
sodium;azane;2-hydroxy-2-oxoacetate;nitric acid
CID 175034311
dipotassium;2-hydroxy-2-oxoacetate;nitrite
CID 176892574
dipotassium;disodium;dicarbonate
CID 23505264
dipotassium;disodium;azane;carbonic acid;dicarbonate
CID 173340868
potassium;sodium;hydrogen carbonate;methanolate
CID 140661129
potassium;sodium;carbonic acid;hydrogen carbonate;hydroxide
CID 161222567
dicesium;oxalate;oxalic acid
CID 139047243

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxy-2-oxoacetate;hydrochloride?
The IUPAC name of sodium;2-hydroxy-2-oxoacetate;hydrochloride (CID 141113765) is sodium;2-hydroxy-2-oxoacetate;hydrochloride.
What is the SMILES notation for sodium;2-hydroxy-2-oxoacetate;hydrochloride?
The canonical SMILES for sodium;2-hydroxy-2-oxoacetate;hydrochloride is Cl.O=C([O-])C(=O)O.[Na+].
What is the InChIKey of sodium;2-hydroxy-2-oxoacetate;hydrochloride?
The InChIKey is MVTYCFQIEQHIGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O4.ClH.Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);1H;/q;;+1/p-1.
What are the key properties of sodium;2-hydroxy-2-oxoacetate;hydrochloride?
sodium;2-hydroxy-2-oxoacetate;hydrochloride has a molecular weight of 148.48 g/mol, XLogP of -4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxy-2-oxoacetate;hydrochloride is sourced from PubChem (CID 141113765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).