formic acid;propanoic acid

C7H14O6 — CID 174517603

IUPACformic acid;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.O=CO
InChIInChI=1S/2C3H6O2.CH2O2/c2*1-2-3(4)5;2-1-3/h2*2H2,1H3,(H,4,5);1H,(H,2,3)
InChIKeyFEAHYURHESROPA-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.66
Rot. Bonds2

About formic acid;propanoic acid

formic acid;propanoic acid (PubChem CID 174517603) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is formic acid;propanoic acid.

Molecular Properties

Compound Nameformic acid;propanoic acid
PubChem CID174517603
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Nameformic acid;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.O=CO
InChIInChI=1S/2C3H6O2.CH2O2/c2*1-2-3(4)5;2-1-3/h2*2H2,1H3,(H,4,5);1H,(H,2,3)
InChIKeyFEAHYURHESROPA-UHFFFAOYSA-N
XLogP0.66
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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propanoic acid;zirconium
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CID 87085581
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CID 5150615

Frequently Asked Questions

What is the IUPAC name of formic acid;propanoic acid?
The IUPAC name of formic acid;propanoic acid (CID 174517603) is formic acid;propanoic acid.
What is the SMILES notation for formic acid;propanoic acid?
The canonical SMILES for formic acid;propanoic acid is CCC(=O)O.CCC(=O)O.O=CO.
What is the InChIKey of formic acid;propanoic acid?
The InChIKey is FEAHYURHESROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.CH2O2/c2*1-2-3(4)5;2-1-3/h2*2H2,1H3,(H,4,5);1H,(H,2,3).
What are the key properties of formic acid;propanoic acid?
formic acid;propanoic acid has a molecular weight of 194.18 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;propanoic acid is sourced from PubChem (CID 174517603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).