copper;hydrogen borate;oxalic acid

C2H3BCuO7 — CID 175216569

IUPACcopper;hydrogen borate;oxalic acid
SMILESO=C(O)C(=O)O.[Cu+2].[O-]B([O-])O
InChIInChI=1S/C2H2O4.BHO3.Cu/c3-1(4)2(5)6;2-1(3)4;/h(H,3,4)(H,5,6);2H;/q;-2;+2
InChIKeyTWAUMTNNINBUCQ-UHFFFAOYSA-N
MW213.40 g/mol
LogP-4.16
Rot. Bonds

About copper;hydrogen borate;oxalic acid

copper;hydrogen borate;oxalic acid (PubChem CID 175216569) has the molecular formula C2H3BCuO7 and a molecular weight of 213.40 g/mol. Its IUPAC name is copper;hydrogen borate;oxalic acid.

Molecular Properties

Compound Namecopper;hydrogen borate;oxalic acid
PubChem CID175216569
Molecular FormulaC2H3BCuO7
Molecular Weight213.40 g/mol
Exact Mass212.93
IUPAC Namecopper;hydrogen borate;oxalic acid
SMILESO=C(O)C(=O)O.[Cu+2].[O-]B([O-])O
InChIInChI=1S/C2H2O4.BHO3.Cu/c3-1(4)2(5)6;2-1(3)4;/h(H,3,4)(H,5,6);2H;/q;-2;+2
InChIKeyTWAUMTNNINBUCQ-UHFFFAOYSA-N
XLogP-4.16
TPSA140.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.40
LogP ≤ 5-4.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium;barium(2+);oxalic acid;borate
CID 159665648
potassium;sodium;carbonic acid;hydrogen borate
CID 157407126
cesium;boric acid;hydride;oxalic acid
CID 175079112
azane;difluoroborinic acid;oxalic acid
CID 175525929
europium;oxalic acid
CID 90472147
magnesium oxalic acid
CID 54611841
oxalic acid;trihydrochloride
CID 140553783
oxalic acid;hydrochloride
CID 173369286
disodium;hydrogen borate
CID 14496929
californium;oxalic acid
CID 87427078
oxalic acid;thorium
CID 25199595
trilithium;2,2-difluoroacetic acid;oxalic acid;borate
CID 174747516

Frequently Asked Questions

What is the IUPAC name of copper;hydrogen borate;oxalic acid?
The IUPAC name of copper;hydrogen borate;oxalic acid (CID 175216569) is copper;hydrogen borate;oxalic acid.
What is the SMILES notation for copper;hydrogen borate;oxalic acid?
The canonical SMILES for copper;hydrogen borate;oxalic acid is O=C(O)C(=O)O.[Cu+2].[O-]B([O-])O.
What is the InChIKey of copper;hydrogen borate;oxalic acid?
The InChIKey is TWAUMTNNINBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.BHO3.Cu/c3-1(4)2(5)6;2-1(3)4;/h(H,3,4)(H,5,6);2H;/q;-2;+2.
What are the key properties of copper;hydrogen borate;oxalic acid?
copper;hydrogen borate;oxalic acid has a molecular weight of 213.40 g/mol, XLogP of -4.16, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hydrogen borate;oxalic acid is sourced from PubChem (CID 175216569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).