acetic acid;sulfuric acid

C8H18O12S — CID 157312003

IUPACacetic acid;sulfuric acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O=S(=O)(O)O
InChIInChI=1S/4C2H4O2.H2O4S/c4*1-2(3)4;1-5(2,3)4/h4*1H3,(H,3,4);(H2,1,2,3,4)
InChIKeyOUUSPZUAUNWQJG-UHFFFAOYSA-N
MW338.29 g/mol
LogP-0.29
Rot. Bonds

About acetic acid;sulfuric acid

acetic acid;sulfuric acid (PubChem CID 157312003) has the molecular formula C8H18O12S and a molecular weight of 338.29 g/mol. Its IUPAC name is acetic acid;sulfuric acid.

Molecular Properties

Compound Nameacetic acid;sulfuric acid
PubChem CID157312003
Molecular FormulaC8H18O12S
Molecular Weight338.29 g/mol
Exact Mass338.05
IUPAC Nameacetic acid;sulfuric acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O=S(=O)(O)O
InChIInChI=1S/4C2H4O2.H2O4S/c4*1-2(3)4;1-5(2,3)4/h4*1H3,(H,3,4);(H2,1,2,3,4)
InChIKeyOUUSPZUAUNWQJG-UHFFFAOYSA-N
XLogP-0.29
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;sulfuric acid
CID 172861121
acetic acid;sulfuric acid
CID 158118264
CID 87972700
CID 87972700
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CID 175212602
acetic acid
CID 158444727
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CID 173345515
acetic acid;sulfanediol
CID 87083890
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CID 173394816
sodium;acetic acid;azane;hydrogen sulfate;hydrochloride
CID 173196508
calcium;sulfuric acid;diacetate
CID 173099353
acetic acid;palladium
CID 58759193
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CID 175502908

Frequently Asked Questions

What is the IUPAC name of acetic acid;sulfuric acid?
The IUPAC name of acetic acid;sulfuric acid (CID 157312003) is acetic acid;sulfuric acid.
What is the SMILES notation for acetic acid;sulfuric acid?
The canonical SMILES for acetic acid;sulfuric acid is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O=S(=O)(O)O.
What is the InChIKey of acetic acid;sulfuric acid?
The InChIKey is OUUSPZUAUNWQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.H2O4S/c4*1-2(3)4;1-5(2,3)4/h4*1H3,(H,3,4);(H2,1,2,3,4).
What are the key properties of acetic acid;sulfuric acid?
acetic acid;sulfuric acid has a molecular weight of 338.29 g/mol, XLogP of -0.29, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;sulfuric acid is sourced from PubChem (CID 157312003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).