furan-3-carboxylic acid;dihydrochloride

C5H6Cl2O3 — CID 141114987

IUPACfuran-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccoc1
InChIInChI=1S/C5H4O3.2ClH/c6-5(7)4-1-2-8-3-4;;/h1-3H,(H,6,7);2*1H
InChIKeyDQJMYBQXENAPHY-UHFFFAOYSA-N
MW185.01 g/mol
LogP1.82
Rot. Bonds1

About furan-3-carboxylic acid;dihydrochloride

furan-3-carboxylic acid;dihydrochloride (PubChem CID 141114987) has the molecular formula C5H6Cl2O3 and a molecular weight of 185.01 g/mol. Its IUPAC name is furan-3-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Namefuran-3-carboxylic acid;dihydrochloride
PubChem CID141114987
Molecular FormulaC5H6Cl2O3
Molecular Weight185.01 g/mol
Exact Mass183.97
IUPAC Namefuran-3-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1ccoc1
InChIInChI=1S/C5H4O3.2ClH/c6-5(7)4-1-2-8-3-4;;/h1-3H,(H,6,7);2*1H
InChIKeyDQJMYBQXENAPHY-UHFFFAOYSA-N
XLogP1.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.01
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-3-carboxylic acid;dihydrochloride?
The IUPAC name of furan-3-carboxylic acid;dihydrochloride (CID 141114987) is furan-3-carboxylic acid;dihydrochloride.
What is the SMILES notation for furan-3-carboxylic acid;dihydrochloride?
The canonical SMILES for furan-3-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1ccoc1.
What is the InChIKey of furan-3-carboxylic acid;dihydrochloride?
The InChIKey is DQJMYBQXENAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O3.2ClH/c6-5(7)4-1-2-8-3-4;;/h1-3H,(H,6,7);2*1H.
What are the key properties of furan-3-carboxylic acid;dihydrochloride?
furan-3-carboxylic acid;dihydrochloride has a molecular weight of 185.01 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carboxylic acid;dihydrochloride is sourced from PubChem (CID 141114987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).