disodium;acetic acid;butanedioate

C8H12Na2O8 — CID 173373024

IUPACdisodium;acetic acid;butanedioate
SMILESCC(=O)O.CC(=O)O.O=C([O-])CCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.2C2H4O2.2Na/c5-3(6)1-2-4(7)8;2*1-2(3)4;;/h1-2H2,(H,5,6)(H,7,8);2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeySEBLERZPEFQKKM-UHFFFAOYSA-L
MW282.16 g/mol
LogP-8.54
Rot. Bonds3

About disodium;acetic acid;butanedioate

disodium;acetic acid;butanedioate (PubChem CID 173373024) has the molecular formula C8H12Na2O8 and a molecular weight of 282.16 g/mol. Its IUPAC name is disodium;acetic acid;butanedioate.

Molecular Properties

Compound Namedisodium;acetic acid;butanedioate
PubChem CID173373024
Molecular FormulaC8H12Na2O8
Molecular Weight282.16 g/mol
Exact Mass282.03
IUPAC Namedisodium;acetic acid;butanedioate
SMILESCC(=O)O.CC(=O)O.O=C([O-])CCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.2C2H4O2.2Na/c5-3(6)1-2-4(7)8;2*1-2(3)4;;/h1-2H2,(H,5,6)(H,7,8);2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeySEBLERZPEFQKKM-UHFFFAOYSA-L
XLogP-8.54
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 5-8.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

disodium;butanedioate;methanol
CID 160588999
disodium;acetic acid;diacetate
CID 173429672
tetrasodium;acetic acid;tetraacetate
CID 175423347
sodium;acetic acid;acetate
CID 173223990
disodium;acetic acid;diacetate;dihydrate
CID 157440241
sodium;4-oxopentanoate;4-oxopentanoic acid
CID 159759335
sodium;acetic acid;ethane-1,2-diol;acetate
CID 174903059
disodium;butanedioate;ethanol
CID 86659235
potassium;sodium;acetic acid;azane;diacetate
CID 174405846
acetic acid;nickel(2+);diacetate
CID 159615318
dipotassium;acetic acid;diacetate
CID 158588749
cesium;acetic acid;acetate
CID 175712747

Frequently Asked Questions

What is the IUPAC name of disodium;acetic acid;butanedioate?
The IUPAC name of disodium;acetic acid;butanedioate (CID 173373024) is disodium;acetic acid;butanedioate.
What is the SMILES notation for disodium;acetic acid;butanedioate?
The canonical SMILES for disodium;acetic acid;butanedioate is CC(=O)O.CC(=O)O.O=C([O-])CCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;acetic acid;butanedioate?
The InChIKey is SEBLERZPEFQKKM-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O4.2C2H4O2.2Na/c5-3(6)1-2-4(7)8;2*1-2(3)4;;/h1-2H2,(H,5,6)(H,7,8);2*1H3,(H,3,4);;/q;;;2*+1/p-2.
What are the key properties of disodium;acetic acid;butanedioate?
disodium;acetic acid;butanedioate has a molecular weight of 282.16 g/mol, XLogP of -8.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;acetic acid;butanedioate is sourced from PubChem (CID 173373024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).