boric acid;propanoic acid

C6H15BO7 — CID 88603519

IUPACboric acid;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.OB(O)O
InChIInChI=1S/2C3H6O2.BH3O3/c2*1-2-3(4)5;2-1(3)4/h2*2H2,1H3,(H,4,5);2-4H
InChIKeyMJLWVFCQACUJAD-UHFFFAOYSA-N
MW209.99 g/mol
LogP-1.09
Rot. Bonds2

About boric acid;propanoic acid

boric acid;propanoic acid (PubChem CID 88603519) has the molecular formula C6H15BO7 and a molecular weight of 209.99 g/mol. Its IUPAC name is boric acid;propanoic acid.

Molecular Properties

Compound Nameboric acid;propanoic acid
PubChem CID88603519
Molecular FormulaC6H15BO7
Molecular Weight209.99 g/mol
Exact Mass210.09
IUPAC Nameboric acid;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.OB(O)O
InChIInChI=1S/2C3H6O2.BH3O3/c2*1-2-3(4)5;2-1(3)4/h2*2H2,1H3,(H,4,5);2-4H
InChIKeyMJLWVFCQACUJAD-UHFFFAOYSA-N
XLogP-1.09
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.99
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 boric acid;propanoic acid?
The IUPAC name of boric acid;propanoic acid (CID 88603519) is boric acid;propanoic acid.
What is the SMILES notation for boric acid;propanoic acid?
The canonical SMILES for boric acid;propanoic acid is CCC(=O)O.CCC(=O)O.OB(O)O.
What is the InChIKey of boric acid;propanoic acid?
The InChIKey is MJLWVFCQACUJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.BH3O3/c2*1-2-3(4)5;2-1(3)4/h2*2H2,1H3,(H,4,5);2-4H.
What are the key properties of boric acid;propanoic acid?
boric acid;propanoic acid has a molecular weight of 209.99 g/mol, XLogP of -1.09, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;propanoic acid is sourced from PubChem (CID 88603519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).