boric acid;bis(2-hydroxybenzoic acid);zinc

C14H15BO9Zn — CID 5360530

IUPACboric acid;bis(2-hydroxybenzoic acid);zinc
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.OB(O)O.[Zn]
InChIInChI=1S/2C7H6O3.BH3O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;2-1(3)4;/h2*1-4,8H,(H,9,10);2-4H;
InChIKeyWEHFMZJMZFXCIP-UHFFFAOYSA-N
MW403.47 g/mol
LogP0.13
Rot. Bonds2

About boric acid;bis(2-hydroxybenzoic acid);zinc

boric acid;bis(2-hydroxybenzoic acid);zinc (PubChem CID 5360530) has the molecular formula C14H15BO9Zn and a molecular weight of 403.47 g/mol. Its IUPAC name is boric acid;bis(2-hydroxybenzoic acid);zinc.

Molecular Properties

Compound Nameboric acid;bis(2-hydroxybenzoic acid);zinc
PubChem CID5360530
Molecular FormulaC14H15BO9Zn
Molecular Weight403.47 g/mol
Exact Mass402.01
IUPAC Nameboric acid;bis(2-hydroxybenzoic acid);zinc
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.OB(O)O.[Zn]
InChIInChI=1S/2C7H6O3.BH3O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;2-1(3)4;/h2*1-4,8H,(H,9,10);2-4H;
InChIKeyWEHFMZJMZFXCIP-UHFFFAOYSA-N
XLogP0.13
TPSA175.75 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 50.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 87183669
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CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
calcium;hydrogen borate;2-hydroxybenzoic acid
CID 175224140
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
2-hydroxybenzoic acid;molecular hydrogen
CID 143717517

Frequently Asked Questions

What is the IUPAC name of boric acid;bis(2-hydroxybenzoic acid);zinc?
The IUPAC name of boric acid;bis(2-hydroxybenzoic acid);zinc (CID 5360530) is boric acid;bis(2-hydroxybenzoic acid);zinc.
What is the SMILES notation for boric acid;bis(2-hydroxybenzoic acid);zinc?
The canonical SMILES for boric acid;bis(2-hydroxybenzoic acid);zinc is O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.OB(O)O.[Zn].
What is the InChIKey of boric acid;bis(2-hydroxybenzoic acid);zinc?
The InChIKey is WEHFMZJMZFXCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3.BH3O3.Zn/c2*8-6-4-2-1-3-5(6)7(9)10;2-1(3)4;/h2*1-4,8H,(H,9,10);2-4H;.
What are the key properties of boric acid;bis(2-hydroxybenzoic acid);zinc?
boric acid;bis(2-hydroxybenzoic acid);zinc has a molecular weight of 403.47 g/mol, XLogP of 0.13, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;bis(2-hydroxybenzoic acid);zinc is sourced from PubChem (CID 5360530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).