3-propoxycarbonylfuran-2-carboxylic acid

C9H10O5 — CID 175183173

IUPAC3-propoxycarbonylfuran-2-carboxylic acid
SMILESCCCOC(=O)c1ccoc1C(=O)O
InChIInChI=1S/C9H10O5/c1-2-4-14-9(12)6-3-5-13-7(6)8(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyRBYIOUSRCXIZQF-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.54
Rot. Bonds4

About 3-propoxycarbonylfuran-2-carboxylic acid

3-propoxycarbonylfuran-2-carboxylic acid (PubChem CID 175183173) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 3-propoxycarbonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-propoxycarbonylfuran-2-carboxylic acid
PubChem CID175183173
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name3-propoxycarbonylfuran-2-carboxylic acid
SMILESCCCOC(=O)c1ccoc1C(=O)O
InChIInChI=1S/C9H10O5/c1-2-4-14-9(12)6-3-5-13-7(6)8(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChIKeyRBYIOUSRCXIZQF-UHFFFAOYSA-N
XLogP1.54
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propoxycarbonylfuran-2-carboxylic acid?
The IUPAC name of 3-propoxycarbonylfuran-2-carboxylic acid (CID 175183173) is 3-propoxycarbonylfuran-2-carboxylic acid.
What is the SMILES notation for 3-propoxycarbonylfuran-2-carboxylic acid?
The canonical SMILES for 3-propoxycarbonylfuran-2-carboxylic acid is CCCOC(=O)c1ccoc1C(=O)O.
What is the InChIKey of 3-propoxycarbonylfuran-2-carboxylic acid?
The InChIKey is RBYIOUSRCXIZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-2-4-14-9(12)6-3-5-13-7(6)8(10)11/h3,5H,2,4H2,1H3,(H,10,11).
What are the key properties of 3-propoxycarbonylfuran-2-carboxylic acid?
3-propoxycarbonylfuran-2-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxycarbonylfuran-2-carboxylic acid is sourced from PubChem (CID 175183173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).