8-formyloxy-9-oxofluorene-1-carboxylic acid

C15H8O5 — CID 121309144

IUPAC8-formyloxy-9-oxofluorene-1-carboxylic acid
SMILESO=COc1cccc2c1C(=O)c1c(C(=O)O)cccc1-2
InChIInChI=1S/C15H8O5/c16-7-20-11-6-2-4-9-8-3-1-5-10(15(18)19)12(8)14(17)13(9)11/h1-7H,(H,18,19)
InChIKeyFXWGXQIDSZDPKR-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.13
Rot. Bonds3

About 8-formyloxy-9-oxofluorene-1-carboxylic acid

8-formyloxy-9-oxofluorene-1-carboxylic acid (PubChem CID 121309144) has the molecular formula C15H8O5 and a molecular weight of 268.22 g/mol. Its IUPAC name is 8-formyloxy-9-oxofluorene-1-carboxylic acid.

Molecular Properties

Compound Name8-formyloxy-9-oxofluorene-1-carboxylic acid
PubChem CID121309144
Molecular FormulaC15H8O5
Molecular Weight268.22 g/mol
Exact Mass268.04
IUPAC Name8-formyloxy-9-oxofluorene-1-carboxylic acid
SMILESO=COc1cccc2c1C(=O)c1c(C(=O)O)cccc1-2
InChIInChI=1S/C15H8O5/c16-7-20-11-6-2-4-9-8-3-1-5-10(15(18)19)12(8)14(17)13(9)11/h1-7H,(H,18,19)
InChIKeyFXWGXQIDSZDPKR-UHFFFAOYSA-N
XLogP2.13
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-formyloxy-9-oxofluorene-1-carboxylic acid?
The IUPAC name of 8-formyloxy-9-oxofluorene-1-carboxylic acid (CID 121309144) is 8-formyloxy-9-oxofluorene-1-carboxylic acid.
What is the SMILES notation for 8-formyloxy-9-oxofluorene-1-carboxylic acid?
The canonical SMILES for 8-formyloxy-9-oxofluorene-1-carboxylic acid is O=COc1cccc2c1C(=O)c1c(C(=O)O)cccc1-2.
What is the InChIKey of 8-formyloxy-9-oxofluorene-1-carboxylic acid?
The InChIKey is FXWGXQIDSZDPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O5/c16-7-20-11-6-2-4-9-8-3-1-5-10(15(18)19)12(8)14(17)13(9)11/h1-7H,(H,18,19).
What are the key properties of 8-formyloxy-9-oxofluorene-1-carboxylic acid?
8-formyloxy-9-oxofluorene-1-carboxylic acid has a molecular weight of 268.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-formyloxy-9-oxofluorene-1-carboxylic acid is sourced from PubChem (CID 121309144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).