zinc;azane;ethane;hydrogen carbonate

C3H9NO3Zn — CID 173456357

IUPACzinc;azane;ethane;hydrogen carbonate
SMILESN.O=C([O-])O.[CH2-]C.[Zn+2]
InChIInChI=1S/C2H5.CH2O3.H3N.Zn/c1-2;2-1(3)4;;/h1H2,2H3;(H2,2,3,4);1H3;/q-1;;;+2/p-1
InChIKeyYKCGJEXXDNUFSX-UHFFFAOYSA-M
MW172.50 g/mol
LogP-0.11
Rot. Bonds

About zinc;azane;ethane;hydrogen carbonate

zinc;azane;ethane;hydrogen carbonate (PubChem CID 173456357) has the molecular formula C3H9NO3Zn and a molecular weight of 172.50 g/mol. Its IUPAC name is zinc;azane;ethane;hydrogen carbonate.

Molecular Properties

Compound Namezinc;azane;ethane;hydrogen carbonate
PubChem CID173456357
Molecular FormulaC3H9NO3Zn
Molecular Weight172.50 g/mol
Exact Mass170.99
IUPAC Namezinc;azane;ethane;hydrogen carbonate
SMILESN.O=C([O-])O.[CH2-]C.[Zn+2]
InChIInChI=1S/C2H5.CH2O3.H3N.Zn/c1-2;2-1(3)4;;/h1H2,2H3;(H2,2,3,4);1H3;/q-1;;;+2/p-1
InChIKeyYKCGJEXXDNUFSX-UHFFFAOYSA-M
XLogP-0.11
TPSA95.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.50
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174841171
zinc;hydrogen carbonate;chloride
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zinc;hydrogen carbonate;hydroxide
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sodium;zinc;hydrogen carbonate;carbonate
CID 161230627
potassium;azane;carbonic acid;ethane
CID 173108231
calcium;azane;hydrogen carbonate;hydrochloride
CID 173114156
cadmium(2+);hydrogen carbonate
CID 14094645
hydrogen carbonate;mercury(2+)
CID 23147660
zinc;azane;carbonate
CID 14029939
hydrogen carbonate;rhodium(3+)
CID 158592814
pentaazanium;hydrogen carbonate
CID 159428979
hydrogen carbonate;tin(4+)
CID 159869349

Frequently Asked Questions

What is the IUPAC name of zinc;azane;ethane;hydrogen carbonate?
The IUPAC name of zinc;azane;ethane;hydrogen carbonate (CID 173456357) is zinc;azane;ethane;hydrogen carbonate.
What is the SMILES notation for zinc;azane;ethane;hydrogen carbonate?
The canonical SMILES for zinc;azane;ethane;hydrogen carbonate is N.O=C([O-])O.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;azane;ethane;hydrogen carbonate?
The InChIKey is YKCGJEXXDNUFSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5.CH2O3.H3N.Zn/c1-2;2-1(3)4;;/h1H2,2H3;(H2,2,3,4);1H3;/q-1;;;+2/p-1.
What are the key properties of zinc;azane;ethane;hydrogen carbonate?
zinc;azane;ethane;hydrogen carbonate has a molecular weight of 172.50 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;azane;ethane;hydrogen carbonate is sourced from PubChem (CID 173456357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).