ethane-1,2-diol;oxalic acid

C4H8O6 — CID 87112589

IUPACethane-1,2-diol;oxalic acid
SMILESO=C(O)C(=O)O.OCCO
InChIInChI=1S/C2H2O4.C2H6O2/c3-1(4)2(5)6;3-1-2-4/h(H,3,4)(H,5,6);3-4H,1-2H2
InChIKeyOUNMTQFEKAIZIF-UHFFFAOYSA-N
MW152.10 g/mol
LogP-1.87
Rot. Bonds1

About ethane-1,2-diol;oxalic acid

ethane-1,2-diol;oxalic acid (PubChem CID 87112589) has the molecular formula C4H8O6 and a molecular weight of 152.10 g/mol. Its IUPAC name is ethane-1,2-diol;oxalic acid.

Molecular Properties

Compound Nameethane-1,2-diol;oxalic acid
PubChem CID87112589
Molecular FormulaC4H8O6
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Nameethane-1,2-diol;oxalic acid
SMILESO=C(O)C(=O)O.OCCO
InChIInChI=1S/C2H2O4.C2H6O2/c3-1(4)2(5)6;3-1-2-4/h(H,3,4)(H,5,6);3-4H,1-2H2
InChIKeyOUNMTQFEKAIZIF-UHFFFAOYSA-N
XLogP-1.87
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethane-1,2-diol;2-hydroxyacetic acid;stibane
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oxalic acid;trihydrochloride
CID 140553783
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CID 87427078
oxalic acid;hydrochloride
CID 173369286
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CID 25199595
europium;oxalic acid
CID 90472147
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;oxalic acid?
The IUPAC name of ethane-1,2-diol;oxalic acid (CID 87112589) is ethane-1,2-diol;oxalic acid.
What is the SMILES notation for ethane-1,2-diol;oxalic acid?
The canonical SMILES for ethane-1,2-diol;oxalic acid is O=C(O)C(=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;oxalic acid?
The InChIKey is OUNMTQFEKAIZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.C2H6O2/c3-1(4)2(5)6;3-1-2-4/h(H,3,4)(H,5,6);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;oxalic acid?
ethane-1,2-diol;oxalic acid has a molecular weight of 152.10 g/mol, XLogP of -1.87, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;oxalic acid is sourced from PubChem (CID 87112589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).