furan-3-carbaldehyde;propanoic acid

C8H10O4 — CID 158875989

IUPACfuran-3-carbaldehyde;propanoic acid
SMILESCCC(=O)O.O=Cc1ccoc1
InChIInChI=1S/C5H4O2.C3H6O2/c6-3-5-1-2-7-4-5;1-2-3(4)5/h1-4H;2H2,1H3,(H,4,5)
InChIKeyJCLAHGDSMMMERE-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.57
Rot. Bonds2

About furan-3-carbaldehyde;propanoic acid

furan-3-carbaldehyde;propanoic acid (PubChem CID 158875989) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is furan-3-carbaldehyde;propanoic acid.

Molecular Properties

Compound Namefuran-3-carbaldehyde;propanoic acid
PubChem CID158875989
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namefuran-3-carbaldehyde;propanoic acid
SMILESCCC(=O)O.O=Cc1ccoc1
InChIInChI=1S/C5H4O2.C3H6O2/c6-3-5-1-2-7-4-5;1-2-3(4)5/h1-4H;2H2,1H3,(H,4,5)
InChIKeyJCLAHGDSMMMERE-UHFFFAOYSA-N
XLogP1.57
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-3-carbaldehyde;propanoic acid?
The IUPAC name of furan-3-carbaldehyde;propanoic acid (CID 158875989) is furan-3-carbaldehyde;propanoic acid.
What is the SMILES notation for furan-3-carbaldehyde;propanoic acid?
The canonical SMILES for furan-3-carbaldehyde;propanoic acid is CCC(=O)O.O=Cc1ccoc1.
What is the InChIKey of furan-3-carbaldehyde;propanoic acid?
The InChIKey is JCLAHGDSMMMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.C3H6O2/c6-3-5-1-2-7-4-5;1-2-3(4)5/h1-4H;2H2,1H3,(H,4,5).
What are the key properties of furan-3-carbaldehyde;propanoic acid?
furan-3-carbaldehyde;propanoic acid has a molecular weight of 170.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbaldehyde;propanoic acid is sourced from PubChem (CID 158875989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).