trisodium;cyclopropanecarboxylate

C12H15Na3O6 — CID 141381064

IUPACtrisodium;cyclopropanecarboxylate
SMILESO=C([O-])C1CC1.O=C([O-])C1CC1.O=C([O-])C1CC1.[Na+].[Na+].[Na+]
InChIInChI=1S/3C4H6O2.3Na/c3*5-4(6)3-1-2-3;;;/h3*3H,1-2H2,(H,5,6);;;/q;;;3*+1/p-3
InChIKeyGVEBCAOEHIICPA-UHFFFAOYSA-K
MW324.22 g/mol
LogP-11.55
Rot. Bonds3

About trisodium;cyclopropanecarboxylate

trisodium;cyclopropanecarboxylate (PubChem CID 141381064) has the molecular formula C12H15Na3O6 and a molecular weight of 324.22 g/mol. Its IUPAC name is trisodium;cyclopropanecarboxylate.

Molecular Properties

Compound Nametrisodium;cyclopropanecarboxylate
PubChem CID141381064
Molecular FormulaC12H15Na3O6
Molecular Weight324.22 g/mol
Exact Mass324.06
IUPAC Nametrisodium;cyclopropanecarboxylate
SMILESO=C([O-])C1CC1.O=C([O-])C1CC1.O=C([O-])C1CC1.[Na+].[Na+].[Na+]
InChIInChI=1S/3C4H6O2.3Na/c3*5-4(6)3-1-2-3;;;/h3*3H,1-2H2,(H,5,6);;;/q;;;3*+1/p-3
InChIKeyGVEBCAOEHIICPA-UHFFFAOYSA-K
XLogP-11.55
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 5-11.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azaniumylmethylazanium;cyclohexane-1,4-dicarboxylate
CID 163546448
azanium cyclobutanecarboxylate
CID 160775595
cyclotetradecanecarboxylate
CID 140590492
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168
disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide
CID 23229980
sodium 4-hydroxycyclododecane-1-carboxylate
CID 23699033
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
bis(cyclohexanecarboxylate);indium(3+);chloride
CID 160994257
CID 171703364
CID 171703364
sodium 2-cyclopropyl-2-oxoacetate
CID 140749850
sodium 4-phenylcyclohexane-1-carboxylate
CID 23689505

Frequently Asked Questions

What is the IUPAC name of trisodium;cyclopropanecarboxylate?
The IUPAC name of trisodium;cyclopropanecarboxylate (CID 141381064) is trisodium;cyclopropanecarboxylate.
What is the SMILES notation for trisodium;cyclopropanecarboxylate?
The canonical SMILES for trisodium;cyclopropanecarboxylate is O=C([O-])C1CC1.O=C([O-])C1CC1.O=C([O-])C1CC1.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;cyclopropanecarboxylate?
The InChIKey is GVEBCAOEHIICPA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4H6O2.3Na/c3*5-4(6)3-1-2-3;;;/h3*3H,1-2H2,(H,5,6);;;/q;;;3*+1/p-3.
What are the key properties of trisodium;cyclopropanecarboxylate?
trisodium;cyclopropanecarboxylate has a molecular weight of 324.22 g/mol, XLogP of -11.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;cyclopropanecarboxylate is sourced from PubChem (CID 141381064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).