oxalic acid;trihydrochloride

C2H5Cl3O4 — CID 140553783

IUPACoxalic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.3ClH/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);3*1H
InChIKeyDHTGXTQNEKAHFW-UHFFFAOYSA-N
MW199.42 g/mol
LogP0.42
Rot. Bonds

About oxalic acid;trihydrochloride

oxalic acid;trihydrochloride (PubChem CID 140553783) has the molecular formula C2H5Cl3O4 and a molecular weight of 199.42 g/mol. Its IUPAC name is oxalic acid;trihydrochloride.

Molecular Properties

Compound Nameoxalic acid;trihydrochloride
PubChem CID140553783
Molecular FormulaC2H5Cl3O4
Molecular Weight199.42 g/mol
Exact Mass197.93
IUPAC Nameoxalic acid;trihydrochloride
SMILESCl.Cl.Cl.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.3ClH/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);3*1H
InChIKeyDHTGXTQNEKAHFW-UHFFFAOYSA-N
XLogP0.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.42
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;hydrochloride
CID 173369286
hydroxylamine;oxalic acid;hydrochloride
CID 175032202
potassium;hydride;oxalic acid;tetrahydrochloride
CID 173258127
oxalic acid;thorium
CID 25199595
californium;oxalic acid
CID 87427078
magnesium oxalic acid
CID 54611841
europium;oxalic acid
CID 90472147
lithium;oxalic acid;chloride
CID 175547992
azane;carbonic acid;oxalic acid
CID 174837249
cerium;oxalic acid;decahydrate
CID 175012984
azane;iron;oxalic acid
CID 87090690
oxalic acid;zirconium;hydrate
CID 91886498

Frequently Asked Questions

What is the IUPAC name of oxalic acid;trihydrochloride?
The IUPAC name of oxalic acid;trihydrochloride (CID 140553783) is oxalic acid;trihydrochloride.
What is the SMILES notation for oxalic acid;trihydrochloride?
The canonical SMILES for oxalic acid;trihydrochloride is Cl.Cl.Cl.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;trihydrochloride?
The InChIKey is DHTGXTQNEKAHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.3ClH/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);3*1H.
What are the key properties of oxalic acid;trihydrochloride?
oxalic acid;trihydrochloride has a molecular weight of 199.42 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;trihydrochloride is sourced from PubChem (CID 140553783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).