acetic acid;zinc;nonahydrate

C2H22O11Zn — CID 174979738

IUPACacetic acid;zinc;nonahydrate
SMILESCC(=O)O.O.O.O.O.O.O.O.O.O.[Zn]
InChIInChI=1S/C2H4O2.9H2O.Zn/c1-2(3)4;;;;;;;;;;/h1H3,(H,3,4);9*1H2;
InChIKeyNQTTWXPOSKVBCM-UHFFFAOYSA-N
MW287.58 g/mol
LogP-7.33
Rot. Bonds

About acetic acid;zinc;nonahydrate

acetic acid;zinc;nonahydrate (PubChem CID 174979738) has the molecular formula C2H22O11Zn and a molecular weight of 287.58 g/mol. Its IUPAC name is acetic acid;zinc;nonahydrate.

Molecular Properties

Compound Nameacetic acid;zinc;nonahydrate
PubChem CID174979738
Molecular FormulaC2H22O11Zn
Molecular Weight287.58 g/mol
Exact Mass286.05
IUPAC Nameacetic acid;zinc;nonahydrate
SMILESCC(=O)O.O.O.O.O.O.O.O.O.O.[Zn]
InChIInChI=1S/C2H4O2.9H2O.Zn/c1-2(3)4;;;;;;;;;;/h1H3,(H,3,4);9*1H2;
InChIKeyNQTTWXPOSKVBCM-UHFFFAOYSA-N
XLogP-7.33
TPSA320.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.58
LogP ≤ 5-7.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173017451
acetic acid;decahydrate
CID 163997764
acetic acid;gadolinium;hexahydrate
CID 174991979
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CID 171714614
CID 173007307
CID 173007307
acetic acid;terbium;dihydrate
CID 133188352
acetic acid;yttrium;pentahydrate
CID 172997379
acetic acid;manganese;tetrahydrate
CID 178069783
acetic acid;chromium;tetrahydrate
CID 173392510
acetic acid;hydrate;hydrobromide
CID 88815533
acetic acid;copper;tetrahydrate
CID 174987163
acetic acid;copper;dihydrate
CID 172826856

Frequently Asked Questions

What is the IUPAC name of acetic acid;zinc;nonahydrate?
The IUPAC name of acetic acid;zinc;nonahydrate (CID 174979738) is acetic acid;zinc;nonahydrate.
What is the SMILES notation for acetic acid;zinc;nonahydrate?
The canonical SMILES for acetic acid;zinc;nonahydrate is CC(=O)O.O.O.O.O.O.O.O.O.O.[Zn].
What is the InChIKey of acetic acid;zinc;nonahydrate?
The InChIKey is NQTTWXPOSKVBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.9H2O.Zn/c1-2(3)4;;;;;;;;;;/h1H3,(H,3,4);9*1H2;.
What are the key properties of acetic acid;zinc;nonahydrate?
acetic acid;zinc;nonahydrate has a molecular weight of 287.58 g/mol, XLogP of -7.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;zinc;nonahydrate is sourced from PubChem (CID 174979738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).