ethanol;2-hydroxypropanoic acid;zinc

C5H12O4Zn — CID 162356174

IUPACethanol;2-hydroxypropanoic acid;zinc
SMILESCC(O)C(=O)O.CCO.[Zn]
InChIInChI=1S/C3H6O3.C2H6O.Zn/c1-2(4)3(5)6;1-2-3;/h2,4H,1H3,(H,5,6);3H,2H2,1H3;
InChIKeyBKAIKUKWDANXPD-UHFFFAOYSA-N
MW201.54 g/mol
LogP-0.55
Rot. Bonds1

About ethanol;2-hydroxypropanoic acid;zinc

ethanol;2-hydroxypropanoic acid;zinc (PubChem CID 162356174) has the molecular formula C5H12O4Zn and a molecular weight of 201.54 g/mol. Its IUPAC name is ethanol;2-hydroxypropanoic acid;zinc.

Molecular Properties

Compound Nameethanol;2-hydroxypropanoic acid;zinc
PubChem CID162356174
Molecular FormulaC5H12O4Zn
Molecular Weight201.54 g/mol
Exact Mass200.00
IUPAC Nameethanol;2-hydroxypropanoic acid;zinc
SMILESCC(O)C(=O)O.CCO.[Zn]
InChIInChI=1S/C3H6O3.C2H6O.Zn/c1-2(4)3(5)6;1-2-3;/h2,4H,1H3,(H,5,6);3H,2H2,1H3;
InChIKeyBKAIKUKWDANXPD-UHFFFAOYSA-N
XLogP-0.55
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.54
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropanoic acid
CID 87075455
butan-1-ol;ethanol;2-hydroxypropanoic acid
CID 158306418
2-hydroxypropanoic acid;propanoic acid
CID 175004384
2-hydroxypropanoic acid;propane-1,2-diol
CID 87142668
2-hydroxypropanoic acid;mercury
CID 88512020
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
CID 123133976
CID 123133976
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579

Frequently Asked Questions

What is the IUPAC name of ethanol;2-hydroxypropanoic acid;zinc?
The IUPAC name of ethanol;2-hydroxypropanoic acid;zinc (CID 162356174) is ethanol;2-hydroxypropanoic acid;zinc.
What is the SMILES notation for ethanol;2-hydroxypropanoic acid;zinc?
The canonical SMILES for ethanol;2-hydroxypropanoic acid;zinc is CC(O)C(=O)O.CCO.[Zn].
What is the InChIKey of ethanol;2-hydroxypropanoic acid;zinc?
The InChIKey is BKAIKUKWDANXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H6O.Zn/c1-2(4)3(5)6;1-2-3;/h2,4H,1H3,(H,5,6);3H,2H2,1H3;.
What are the key properties of ethanol;2-hydroxypropanoic acid;zinc?
ethanol;2-hydroxypropanoic acid;zinc has a molecular weight of 201.54 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxypropanoic acid;zinc is sourced from PubChem (CID 162356174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).