lithium;acetic acid;hydride;oxalic acid

C4H7LiO6 — CID 174060448

IUPAClithium;acetic acid;hydride;oxalic acid
SMILESCC(=O)O.O=C(O)C(=O)O.[H-].[Li+]
InChIInChI=1S/C2H2O4.C2H4O2.Li.H/c3-1(4)2(5)6;1-2(3)4;;/h(H,3,4)(H,5,6);1H3,(H,3,4);;/q;;+1;-1
InChIKeySEAPVNKHLDOTSQ-UHFFFAOYSA-N
MW158.03 g/mol
LogP-3.64
Rot. Bonds

About lithium;acetic acid;hydride;oxalic acid

lithium;acetic acid;hydride;oxalic acid (PubChem CID 174060448) has the molecular formula C4H7LiO6 and a molecular weight of 158.03 g/mol. Its IUPAC name is lithium;acetic acid;hydride;oxalic acid.

Molecular Properties

Compound Namelithium;acetic acid;hydride;oxalic acid
PubChem CID174060448
Molecular FormulaC4H7LiO6
Molecular Weight158.03 g/mol
Exact Mass158.04
IUPAC Namelithium;acetic acid;hydride;oxalic acid
SMILESCC(=O)O.O=C(O)C(=O)O.[H-].[Li+]
InChIInChI=1S/C2H2O4.C2H4O2.Li.H/c3-1(4)2(5)6;1-2(3)4;;/h(H,3,4)(H,5,6);1H3,(H,3,4);;/q;;+1;-1
InChIKeySEAPVNKHLDOTSQ-UHFFFAOYSA-N
XLogP-3.64
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.03
LogP ≤ 5-3.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;oxalic acid;hydrate
CID 175212371
lithium;magnesium;acetic acid;hydride;λ2-stannane
CID 174107240
potassium;acetic acid;hydride
CID 173209804
acetic acid;hydride;nickel
CID 173448047
trisodium;acetic acid;hydride
CID 172996834
strontium;acetic acid;hydride
CID 173216931
henicosamagnesium;acetic acid;hydride
CID 173442224
magnesium;acetic acid;hydride
CID 172995175
tricosasodium;acetic acid;hydride
CID 173423110
acetic acid
CID 158444727
calcium;sodium;acetic acid;hydride
CID 173169093
magnesium;acetic acid;hydride;silver
CID 174410866

Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;hydride;oxalic acid?
The IUPAC name of lithium;acetic acid;hydride;oxalic acid (CID 174060448) is lithium;acetic acid;hydride;oxalic acid.
What is the SMILES notation for lithium;acetic acid;hydride;oxalic acid?
The canonical SMILES for lithium;acetic acid;hydride;oxalic acid is CC(=O)O.O=C(O)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;acetic acid;hydride;oxalic acid?
The InChIKey is SEAPVNKHLDOTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.C2H4O2.Li.H/c3-1(4)2(5)6;1-2(3)4;;/h(H,3,4)(H,5,6);1H3,(H,3,4);;/q;;+1;-1.
What are the key properties of lithium;acetic acid;hydride;oxalic acid?
lithium;acetic acid;hydride;oxalic acid has a molecular weight of 158.03 g/mol, XLogP of -3.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetic acid;hydride;oxalic acid is sourced from PubChem (CID 174060448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).