2-hydroxy-2-oxalooxyacetic acid

C4H4O7 — CID 54332324

IUPAC2-hydroxy-2-oxalooxyacetic acid
SMILESO=C(O)C(=O)OC(O)C(=O)O
InChIInChI=1S/C4H4O7/c5-1(6)3(9)11-4(10)2(7)8/h3,9H,(H,5,6)(H,7,8)
InChIKeySZFABAYCEPKNFD-UHFFFAOYSA-N
MW164.07 g/mol
LogP-1.98
Rot. Bonds2

About 2-hydroxy-2-oxalooxyacetic acid

2-hydroxy-2-oxalooxyacetic acid (PubChem CID 54332324) has the molecular formula C4H4O7 and a molecular weight of 164.07 g/mol. Its IUPAC name is 2-hydroxy-2-oxalooxyacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-oxalooxyacetic acid
PubChem CID54332324
Molecular FormulaC4H4O7
Molecular Weight164.07 g/mol
Exact Mass164.00
IUPAC Name2-hydroxy-2-oxalooxyacetic acid
SMILESO=C(O)C(=O)OC(O)C(=O)O
InChIInChI=1S/C4H4O7/c5-1(6)3(9)11-4(10)2(7)8/h3,9H,(H,5,6)(H,7,8)
InChIKeySZFABAYCEPKNFD-UHFFFAOYSA-N
XLogP-1.98
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(dichloromethoxy)-2-oxoacetic acid
CID 139843444
2-[[[carboxy(hydroxy)methoxy]carbonylamino]methylcarbamoyloxy]-2-hydroxyacetic acid
CID 20645206
(2R)-2-aminooxy-2-hydroxyacetic acid
CID 90135688
trisodium;4-[carboxy(hydroxy)methoxy]-4-oxobutanoic acid;hydride
CID 173363089
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
1,2,3,3-tetrahydroxyprop-2-enyl 2-methylprop-2-enoate
CID 140615515
2-[1-(oxiran-2-yl)ethoxy]-2-oxoacetic acid
CID 151015738
2-iodooxy-2-oxoacetic acid
CID 90996944
2,2-dihydroperoxyacetic acid
CID 87481618
CID 172775345
CID 172775345
alumane;carboxy(trihydroxy)phosphanium
CID 174760708
2-oxo-2-propan-2-ylperoxyacetic acid
CID 151938347

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-oxalooxyacetic acid?
The IUPAC name of 2-hydroxy-2-oxalooxyacetic acid (CID 54332324) is 2-hydroxy-2-oxalooxyacetic acid.
What is the SMILES notation for 2-hydroxy-2-oxalooxyacetic acid?
The canonical SMILES for 2-hydroxy-2-oxalooxyacetic acid is O=C(O)C(=O)OC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-oxalooxyacetic acid?
The InChIKey is SZFABAYCEPKNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O7/c5-1(6)3(9)11-4(10)2(7)8/h3,9H,(H,5,6)(H,7,8).
What are the key properties of 2-hydroxy-2-oxalooxyacetic acid?
2-hydroxy-2-oxalooxyacetic acid has a molecular weight of 164.07 g/mol, XLogP of -1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-oxalooxyacetic acid is sourced from PubChem (CID 54332324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).