2-oxofuro[2,3-c]chromene-6-carboxylic acid

C12H6O5 — CID 91292687

IUPAC2-oxofuro[2,3-c]chromene-6-carboxylic acid
SMILESO=C(O)c1cccc2c3cc(=O)oc-3coc12
InChIInChI=1S/C12H6O5/c13-10-4-8-6-2-1-3-7(12(14)15)11(6)16-5-9(8)17-10/h1-5H,(H,14,15)
InChIKeyNZWBRZPRMUILQH-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.19
Rot. Bonds1

About 2-oxofuro[2,3-c]chromene-6-carboxylic acid

2-oxofuro[2,3-c]chromene-6-carboxylic acid (PubChem CID 91292687) has the molecular formula C12H6O5 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-oxofuro[2,3-c]chromene-6-carboxylic acid.

Molecular Properties

Compound Name2-oxofuro[2,3-c]chromene-6-carboxylic acid
PubChem CID91292687
Molecular FormulaC12H6O5
Molecular Weight230.18 g/mol
Exact Mass230.02
IUPAC Name2-oxofuro[2,3-c]chromene-6-carboxylic acid
SMILESO=C(O)c1cccc2c3cc(=O)oc-3coc12
InChIInChI=1S/C12H6O5/c13-10-4-8-6-2-1-3-7(12(14)15)11(6)16-5-9(8)17-10/h1-5H,(H,14,15)
InChIKeyNZWBRZPRMUILQH-UHFFFAOYSA-N
XLogP2.19
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxofuro[2,3-c]chromene-6-carboxylic acid?
The IUPAC name of 2-oxofuro[2,3-c]chromene-6-carboxylic acid (CID 91292687) is 2-oxofuro[2,3-c]chromene-6-carboxylic acid.
What is the SMILES notation for 2-oxofuro[2,3-c]chromene-6-carboxylic acid?
The canonical SMILES for 2-oxofuro[2,3-c]chromene-6-carboxylic acid is O=C(O)c1cccc2c3cc(=O)oc-3coc12.
What is the InChIKey of 2-oxofuro[2,3-c]chromene-6-carboxylic acid?
The InChIKey is NZWBRZPRMUILQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O5/c13-10-4-8-6-2-1-3-7(12(14)15)11(6)16-5-9(8)17-10/h1-5H,(H,14,15).
What are the key properties of 2-oxofuro[2,3-c]chromene-6-carboxylic acid?
2-oxofuro[2,3-c]chromene-6-carboxylic acid has a molecular weight of 230.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxofuro[2,3-c]chromene-6-carboxylic acid is sourced from PubChem (CID 91292687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).