carbonate

CO3-2 — CID 19660

IUPACcarbonate
SMILESO=C([O-])[O-]
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
MW60.01 g/mol
LogP-2.45
Rot. Bonds

About carbonate

carbonate (PubChem CID 19660) has the molecular formula CO3-2 and a molecular weight of 60.01 g/mol. Its IUPAC name is carbonate.

Molecular Properties

Compound Namecarbonate
PubChem CID19660
Molecular FormulaCO3-2
Molecular Weight60.01 g/mol
Exact Mass59.99
IUPAC Namecarbonate
SMILESO=C([O-])[O-]
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
XLogP-2.45
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.01
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbon Dioxide
CID 280
Calcium Carbonate
CID 10112
Manganese carbonate
CID 11726
Cadmium carbonate (CdCO3)
CID 10564
Zinc Carbonate
CID 19005
Magnesium Carbonate
CID 11029
Strontium carbonate
CID 15407
Cobaltous carbonate
CID 10565
Lead carbonate (PbCO3)
CID 11727
Ferrous Carbonate
CID 11248
Copper carbonate
CID 14452
Nickel carbonate
CID 18746

Frequently Asked Questions

What is the IUPAC name of carbonate?
The IUPAC name of carbonate (CID 19660) is carbonate.
What is the SMILES notation for carbonate?
The canonical SMILES for carbonate is O=C([O-])[O-].
What is the InChIKey of carbonate?
The InChIKey is BVKZGUZCCUSVTD-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2.
What are the key properties of carbonate?
carbonate has a molecular weight of 60.01 g/mol, XLogP of -2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonate is sourced from PubChem (CID 19660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).