lithium;boric acid;hydroxymethanone

CH4BLiO5 — CID 175534922

IUPAClithium;boric acid;hydroxymethanone
SMILESO=[C-]O.OB(O)O.[Li+]
InChIInChI=1S/CHO2.BH3O3.Li/c2-1-3;2-1(3)4;/h(H,2,3);2-4H;/q-1;;+1
InChIKeyDVXYHZJKHOQKNZ-UHFFFAOYSA-N
MW113.79 g/mol
LogP-5.44
Rot. Bonds

About lithium;boric acid;hydroxymethanone

lithium;boric acid;hydroxymethanone (PubChem CID 175534922) has the molecular formula CH4BLiO5 and a molecular weight of 113.79 g/mol. Its IUPAC name is lithium;boric acid;hydroxymethanone.

Molecular Properties

Compound Namelithium;boric acid;hydroxymethanone
PubChem CID175534922
Molecular FormulaCH4BLiO5
Molecular Weight113.79 g/mol
Exact Mass114.03
IUPAC Namelithium;boric acid;hydroxymethanone
SMILESO=[C-]O.OB(O)O.[Li+]
InChIInChI=1S/CHO2.BH3O3.Li/c2-1-3;2-1(3)4;/h(H,2,3);2-4H;/q-1;;+1
InChIKeyDVXYHZJKHOQKNZ-UHFFFAOYSA-N
XLogP-5.44
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.79
LogP ≤ 5-5.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;boric acid;hydroxymethanone?
The IUPAC name of lithium;boric acid;hydroxymethanone (CID 175534922) is lithium;boric acid;hydroxymethanone.
What is the SMILES notation for lithium;boric acid;hydroxymethanone?
The canonical SMILES for lithium;boric acid;hydroxymethanone is O=[C-]O.OB(O)O.[Li+].
What is the InChIKey of lithium;boric acid;hydroxymethanone?
The InChIKey is DVXYHZJKHOQKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO2.BH3O3.Li/c2-1-3;2-1(3)4;/h(H,2,3);2-4H;/q-1;;+1.
What are the key properties of lithium;boric acid;hydroxymethanone?
lithium;boric acid;hydroxymethanone has a molecular weight of 113.79 g/mol, XLogP of -5.44, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;boric acid;hydroxymethanone is sourced from PubChem (CID 175534922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).