aluminum;2-hydroxyacetic acid;borate

C2H4AlBO6 — CID 88603049

IUPACaluminum;2-hydroxyacetic acid;borate
SMILESO=C(O)CO.[Al+3].[O-]B([O-])[O-]
InChIInChI=1S/C2H4O3.Al.BO3/c3-1-2(4)5;;2-1(3)4/h3H,1H2,(H,4,5);;/q;+3;-3
InChIKeyNTLUNGMCMZJBTF-UHFFFAOYSA-N
MW161.84 g/mol
LogP-5.27
Rot. Bonds1

About aluminum;2-hydroxyacetic acid;borate

aluminum;2-hydroxyacetic acid;borate (PubChem CID 88603049) has the molecular formula C2H4AlBO6 and a molecular weight of 161.84 g/mol. Its IUPAC name is aluminum;2-hydroxyacetic acid;borate.

Molecular Properties

Compound Namealuminum;2-hydroxyacetic acid;borate
PubChem CID88603049
Molecular FormulaC2H4AlBO6
Molecular Weight161.84 g/mol
Exact Mass161.99
IUPAC Namealuminum;2-hydroxyacetic acid;borate
SMILESO=C(O)CO.[Al+3].[O-]B([O-])[O-]
InChIInChI=1S/C2H4O3.Al.BO3/c3-1-2(4)5;;2-1(3)4/h3H,1H2,(H,4,5);;/q;+3;-3
InChIKeyNTLUNGMCMZJBTF-UHFFFAOYSA-N
XLogP-5.27
TPSA126.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.84
LogP ≤ 5-5.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetylene;2-hydroxyacetic acid
CID 158693227
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
bis(2-hydroxyacetic acid);methane
CID 158039555
CID 88684247
CID 88684247
azane;2-hydroxyacetic acid;zirconium
CID 173458110
benzene;2-hydroxyacetic acid
CID 67764636
2-hydroxyacetic acid;silane;zirconium
CID 174940076
dioxidanium;bis(2-hydroxyacetic acid);manganese
CID 5232950
heptakis(2-hydroxyacetic acid);yttrium;zirconium
CID 154733245
trisodium;tris(2-hydroxyacetate);(2-hydroxyacetic acid)
CID 173437096
ethane-1,2-diol;2-hydroxyacetic acid;stibane
CID 174707857
2-hydroxyacetic acid;sulfurous acid
CID 87280138

Frequently Asked Questions

What is the IUPAC name of aluminum;2-hydroxyacetic acid;borate?
The IUPAC name of aluminum;2-hydroxyacetic acid;borate (CID 88603049) is aluminum;2-hydroxyacetic acid;borate.
What is the SMILES notation for aluminum;2-hydroxyacetic acid;borate?
The canonical SMILES for aluminum;2-hydroxyacetic acid;borate is O=C(O)CO.[Al+3].[O-]B([O-])[O-].
What is the InChIKey of aluminum;2-hydroxyacetic acid;borate?
The InChIKey is NTLUNGMCMZJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.Al.BO3/c3-1-2(4)5;;2-1(3)4/h3H,1H2,(H,4,5);;/q;+3;-3.
What are the key properties of aluminum;2-hydroxyacetic acid;borate?
aluminum;2-hydroxyacetic acid;borate has a molecular weight of 161.84 g/mol, XLogP of -5.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2-hydroxyacetic acid;borate is sourced from PubChem (CID 88603049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).