acetic acid;boric acid;zinc

C2H7BO5Zn — CID 87325591

IUPACacetic acid;boric acid;zinc
SMILESCC(=O)O.OB(O)O.[Zn]
InChIInChI=1S/C2H4O2.BH3O3.Zn/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);2-4H;
InChIKeyKUZUBXAAMFIWHE-UHFFFAOYSA-N
MW187.28 g/mol
LogP-1.96
Rot. Bonds

About acetic acid;boric acid;zinc

acetic acid;boric acid;zinc (PubChem CID 87325591) has the molecular formula C2H7BO5Zn and a molecular weight of 187.28 g/mol. Its IUPAC name is acetic acid;boric acid;zinc.

Molecular Properties

Compound Nameacetic acid;boric acid;zinc
PubChem CID87325591
Molecular FormulaC2H7BO5Zn
Molecular Weight187.28 g/mol
Exact Mass185.97
IUPAC Nameacetic acid;boric acid;zinc
SMILESCC(=O)O.OB(O)O.[Zn]
InChIInChI=1S/C2H4O2.BH3O3.Zn/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);2-4H;
InChIKeyKUZUBXAAMFIWHE-UHFFFAOYSA-N
XLogP-1.96
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
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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Related Compounds

Zinc Acetate Dihydrate
CID 24212194
Acetyloxy(hydroperoxy)borinic acid
CID 9793742
Boric acid acetic acid
CID 10290783
Boric-acetic anhydride
CID 19814652
Carbon dioxide.acetic acid
CID 20548441
ZINC monoacetate
CID 60062094
Essigsaure Kohlensaure
CID 87383555
Methylzinc acetate
CID 129686618
Hydroxide ZINC acetate
CID 129817405
ZINC acetate hydroxide hydrate
CID 164890441
Acetylperoxyboronic acid
CID 10176131
ZINC;acetate;dihydrate
CID 21871755

Frequently Asked Questions

What is the IUPAC name of acetic acid;boric acid;zinc?
The IUPAC name of acetic acid;boric acid;zinc (CID 87325591) is acetic acid;boric acid;zinc.
What is the SMILES notation for acetic acid;boric acid;zinc?
The canonical SMILES for acetic acid;boric acid;zinc is CC(=O)O.OB(O)O.[Zn].
What is the InChIKey of acetic acid;boric acid;zinc?
The InChIKey is KUZUBXAAMFIWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.BH3O3.Zn/c1-2(3)4;2-1(3)4;/h1H3,(H,3,4);2-4H;.
What are the key properties of acetic acid;boric acid;zinc?
acetic acid;boric acid;zinc has a molecular weight of 187.28 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;zinc is sourced from PubChem (CID 87325591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).