acetic acid;boric acid

C2H7BO5 — CID 10290783

IUPACacetic acid;boric acid
SMILESCC(=O)O.OB(O)O
InChIInChI=1S/C2H4O2.BH3O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);2-4H
InChIKeyQEVGBDAVCSPCLP-UHFFFAOYSA-N
MW121.88 g/mol
LogP-1.96
Rot. Bonds

About acetic acid;boric acid

acetic acid;boric acid (PubChem CID 10290783) has the molecular formula C2H7BO5 and a molecular weight of 121.88 g/mol. Its IUPAC name is acetic acid;boric acid.

Molecular Properties

Compound Nameacetic acid;boric acid
PubChem CID10290783
Molecular FormulaC2H7BO5
Molecular Weight121.88 g/mol
Exact Mass122.04
IUPAC Nameacetic acid;boric acid
SMILESCC(=O)O.OB(O)O
InChIInChI=1S/C2H4O2.BH3O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);2-4H
InChIKeyQEVGBDAVCSPCLP-UHFFFAOYSA-N
XLogP-1.96
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.88
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;boric acid?
The IUPAC name of acetic acid;boric acid (CID 10290783) is acetic acid;boric acid.
What is the SMILES notation for acetic acid;boric acid?
The canonical SMILES for acetic acid;boric acid is CC(=O)O.OB(O)O.
What is the InChIKey of acetic acid;boric acid?
The InChIKey is QEVGBDAVCSPCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.BH3O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);2-4H.
What are the key properties of acetic acid;boric acid?
acetic acid;boric acid has a molecular weight of 121.88 g/mol, XLogP of -1.96, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;boric acid is sourced from PubChem (CID 10290783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).