oxalic acid;hydrochloride

C14H15ClO28 — CID 173369286

IUPACoxalic acid;hydrochloride
SMILESCl.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/7C2H2O4.ClH/c7*3-1(4)2(5)6;/h7*(H,3,4)(H,5,6);1H
InChIKeyJMUANDRBZXLETH-UHFFFAOYSA-N
MW666.70 g/mol
LogP-5.49
Rot. Bonds

About oxalic acid;hydrochloride

oxalic acid;hydrochloride (PubChem CID 173369286) has the molecular formula C14H15ClO28 and a molecular weight of 666.70 g/mol. Its IUPAC name is oxalic acid;hydrochloride.

Molecular Properties

Compound Nameoxalic acid;hydrochloride
PubChem CID173369286
Molecular FormulaC14H15ClO28
Molecular Weight666.70 g/mol
Exact Mass665.94
IUPAC Nameoxalic acid;hydrochloride
SMILESCl.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/7C2H2O4.ClH/c7*3-1(4)2(5)6;/h7*(H,3,4)(H,5,6);1H
InChIKeyJMUANDRBZXLETH-UHFFFAOYSA-N
XLogP-5.49
TPSA522.20 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500666.70
LogP ≤ 5-5.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;trihydrochloride
CID 140553783
hydroxylamine;oxalic acid;hydrochloride
CID 175032202
potassium;hydride;oxalic acid;tetrahydrochloride
CID 173258127
oxalic acid;thorium
CID 25199595
magnesium oxalic acid
CID 54611841
californium;oxalic acid
CID 87427078
europium;oxalic acid
CID 90472147
lithium;oxalic acid;chloride
CID 175547992
neodymium;oxalic acid;uranium
CID 118451835
CID 170845858
CID 170845858
cerium;oxalic acid;decahydrate
CID 175012984
azane;iron;oxalic acid
CID 87090690

Frequently Asked Questions

What is the IUPAC name of oxalic acid;hydrochloride?
The IUPAC name of oxalic acid;hydrochloride (CID 173369286) is oxalic acid;hydrochloride.
What is the SMILES notation for oxalic acid;hydrochloride?
The canonical SMILES for oxalic acid;hydrochloride is Cl.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;hydrochloride?
The InChIKey is JMUANDRBZXLETH-UHFFFAOYSA-N. The full InChI is InChI=1S/7C2H2O4.ClH/c7*3-1(4)2(5)6;/h7*(H,3,4)(H,5,6);1H.
What are the key properties of oxalic acid;hydrochloride?
oxalic acid;hydrochloride has a molecular weight of 666.70 g/mol, XLogP of -5.49, 0 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;hydrochloride is sourced from PubChem (CID 173369286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).