zinc;azane;carbonic acid;hydrogen carbonate

C4H12N2O12Zn — CID 174841171

IUPACzinc;azane;carbonic acid;hydrogen carbonate
SMILESN.N.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.[Zn+2]
InChIInChI=1S/4CH2O3.2H3N.Zn/c4*2-1(3)4;;;/h4*(H2,2,3,4);2*1H3;/q;;;;;;+2/p-2
InChIKeyHKZQTCQFLQBWDM-UHFFFAOYSA-L
MW345.53 g/mol
LogP-1.46
Rot. Bonds

About zinc;azane;carbonic acid;hydrogen carbonate

zinc;azane;carbonic acid;hydrogen carbonate (PubChem CID 174841171) has the molecular formula C4H12N2O12Zn and a molecular weight of 345.53 g/mol. Its IUPAC name is zinc;azane;carbonic acid;hydrogen carbonate.

Molecular Properties

Compound Namezinc;azane;carbonic acid;hydrogen carbonate
PubChem CID174841171
Molecular FormulaC4H12N2O12Zn
Molecular Weight345.53 g/mol
Exact Mass343.97
IUPAC Namezinc;azane;carbonic acid;hydrogen carbonate
SMILESN.N.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.[Zn+2]
InChIInChI=1S/4CH2O3.2H3N.Zn/c4*2-1(3)4;;;/h4*(H2,2,3,4);2*1H3;/q;;;;;;+2/p-2
InChIKeyHKZQTCQFLQBWDM-UHFFFAOYSA-L
XLogP-1.46
TPSA305.78 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 5-1.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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zinc;hydrogen carbonate;hydroxide
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zinc;azane;ethane;hydrogen carbonate
CID 173456357
calcium;azane;hydrogen carbonate;hydrochloride
CID 173114156
azane;carbonic acid;zirconium(4+);dicarbonate
CID 131664318
sodium;zinc;hydrogen carbonate;carbonate
CID 161230627
trisodium;carbonic acid;hydrogen carbonate;carbonate
CID 173334422
hydrogen carbonate;rhodium(3+)
CID 158592814
hydrogen carbonate;mercury(2+)
CID 23147660

Frequently Asked Questions

What is the IUPAC name of zinc;azane;carbonic acid;hydrogen carbonate?
The IUPAC name of zinc;azane;carbonic acid;hydrogen carbonate (CID 174841171) is zinc;azane;carbonic acid;hydrogen carbonate.
What is the SMILES notation for zinc;azane;carbonic acid;hydrogen carbonate?
The canonical SMILES for zinc;azane;carbonic acid;hydrogen carbonate is N.N.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.[Zn+2].
What is the InChIKey of zinc;azane;carbonic acid;hydrogen carbonate?
The InChIKey is HKZQTCQFLQBWDM-UHFFFAOYSA-L. The full InChI is InChI=1S/4CH2O3.2H3N.Zn/c4*2-1(3)4;;;/h4*(H2,2,3,4);2*1H3;/q;;;;;;+2/p-2.
What are the key properties of zinc;azane;carbonic acid;hydrogen carbonate?
zinc;azane;carbonic acid;hydrogen carbonate has a molecular weight of 345.53 g/mol, XLogP of -1.46, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;azane;carbonic acid;hydrogen carbonate is sourced from PubChem (CID 174841171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).