trisodium;butanedioic acid

C4H6Na3O4+3 — CID 175698490

IUPACtrisodium;butanedioic acid
SMILESO=C(O)CCC(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C4H6O4.3Na/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);;;/q;3*+1
InChIKeyZMORPAVXLIKRDL-UHFFFAOYSA-N
MW187.06 g/mol
LogP-9.05
Rot. Bonds3

About trisodium;butanedioic acid

trisodium;butanedioic acid (PubChem CID 175698490) has the molecular formula C4H6Na3O4+3 and a molecular weight of 187.06 g/mol. Its IUPAC name is trisodium;butanedioic acid.

Molecular Properties

Compound Nametrisodium;butanedioic acid
PubChem CID175698490
Molecular FormulaC4H6Na3O4+3
Molecular Weight187.06 g/mol
Exact Mass186.99
IUPAC Nametrisodium;butanedioic acid
SMILESO=C(O)CCC(=O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C4H6O4.3Na/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);;;/q;3*+1
InChIKeyZMORPAVXLIKRDL-UHFFFAOYSA-N
XLogP-9.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.06
LogP ≤ 5-9.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;butanedioic acid;hydride;trihydrate
CID 173259329
sodium;butanedioic acid;hydride;iron
CID 173304011
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
butanedioic acid;difluoromethane
CID 159584710

Frequently Asked Questions

What is the IUPAC name of trisodium;butanedioic acid?
The IUPAC name of trisodium;butanedioic acid (CID 175698490) is trisodium;butanedioic acid.
What is the SMILES notation for trisodium;butanedioic acid?
The canonical SMILES for trisodium;butanedioic acid is O=C(O)CCC(=O)O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;butanedioic acid?
The InChIKey is ZMORPAVXLIKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.3Na/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);;;/q;3*+1.
What are the key properties of trisodium;butanedioic acid?
trisodium;butanedioic acid has a molecular weight of 187.06 g/mol, XLogP of -9.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;butanedioic acid is sourced from PubChem (CID 175698490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).