acetic acid;methanesulfonic acid;propanoic acid

C6H14O7S — CID 87710299

IUPACacetic acid;methanesulfonic acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.CS(=O)(=O)O
InChIInChI=1S/C3H6O2.C2H4O2.CH4O3S/c1-2-3(4)5;1-2(3)4;1-5(2,3)4/h2H2,1H3,(H,4,5);1H3,(H,3,4);1H3,(H,2,3,4)
InChIKeyPPHOIGODCLJXJG-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.08
Rot. Bonds1

About acetic acid;methanesulfonic acid;propanoic acid

acetic acid;methanesulfonic acid;propanoic acid (PubChem CID 87710299) has the molecular formula C6H14O7S and a molecular weight of 230.24 g/mol. Its IUPAC name is acetic acid;methanesulfonic acid;propanoic acid.

Molecular Properties

Compound Nameacetic acid;methanesulfonic acid;propanoic acid
PubChem CID87710299
Molecular FormulaC6H14O7S
Molecular Weight230.24 g/mol
Exact Mass230.05
IUPAC Nameacetic acid;methanesulfonic acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.CS(=O)(=O)O
InChIInChI=1S/C3H6O2.C2H4O2.CH4O3S/c1-2-3(4)5;1-2(3)4;1-5(2,3)4/h2H2,1H3,(H,4,5);1H3,(H,3,4);1H3,(H,2,3,4)
InChIKeyPPHOIGODCLJXJG-UHFFFAOYSA-N
XLogP0.08
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;methanesulfonic acid;propanoic acid?
The IUPAC name of acetic acid;methanesulfonic acid;propanoic acid (CID 87710299) is acetic acid;methanesulfonic acid;propanoic acid.
What is the SMILES notation for acetic acid;methanesulfonic acid;propanoic acid?
The canonical SMILES for acetic acid;methanesulfonic acid;propanoic acid is CC(=O)O.CCC(=O)O.CS(=O)(=O)O.
What is the InChIKey of acetic acid;methanesulfonic acid;propanoic acid?
The InChIKey is PPHOIGODCLJXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H4O2.CH4O3S/c1-2-3(4)5;1-2(3)4;1-5(2,3)4/h2H2,1H3,(H,4,5);1H3,(H,3,4);1H3,(H,2,3,4).
What are the key properties of acetic acid;methanesulfonic acid;propanoic acid?
acetic acid;methanesulfonic acid;propanoic acid has a molecular weight of 230.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanesulfonic acid;propanoic acid is sourced from PubChem (CID 87710299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).