7-formyloxy-9-oxofluorene-2-carboxylic acid

C15H8O5 — CID 58307545

IUPAC7-formyloxy-9-oxofluorene-2-carboxylic acid
SMILESO=COc1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C15H8O5/c16-7-20-9-2-4-11-10-3-1-8(15(18)19)5-12(10)14(17)13(11)6-9/h1-7H,(H,18,19)
InChIKeyUCTCDIPEDCBQGT-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.13
Rot. Bonds3

About 7-formyloxy-9-oxofluorene-2-carboxylic acid

7-formyloxy-9-oxofluorene-2-carboxylic acid (PubChem CID 58307545) has the molecular formula C15H8O5 and a molecular weight of 268.22 g/mol. Its IUPAC name is 7-formyloxy-9-oxofluorene-2-carboxylic acid.

Molecular Properties

Compound Name7-formyloxy-9-oxofluorene-2-carboxylic acid
PubChem CID58307545
Molecular FormulaC15H8O5
Molecular Weight268.22 g/mol
Exact Mass268.04
IUPAC Name7-formyloxy-9-oxofluorene-2-carboxylic acid
SMILESO=COc1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C15H8O5/c16-7-20-9-2-4-11-10-3-1-8(15(18)19)5-12(10)14(17)13(11)6-9/h1-7H,(H,18,19)
InChIKeyUCTCDIPEDCBQGT-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 7-formyloxy-9-oxofluorene-2-carboxylic acid?
The IUPAC name of 7-formyloxy-9-oxofluorene-2-carboxylic acid (CID 58307545) is 7-formyloxy-9-oxofluorene-2-carboxylic acid.
What is the SMILES notation for 7-formyloxy-9-oxofluorene-2-carboxylic acid?
The canonical SMILES for 7-formyloxy-9-oxofluorene-2-carboxylic acid is O=COc1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1-2.
What is the InChIKey of 7-formyloxy-9-oxofluorene-2-carboxylic acid?
The InChIKey is UCTCDIPEDCBQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O5/c16-7-20-9-2-4-11-10-3-1-8(15(18)19)5-12(10)14(17)13(11)6-9/h1-7H,(H,18,19).
What are the key properties of 7-formyloxy-9-oxofluorene-2-carboxylic acid?
7-formyloxy-9-oxofluorene-2-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 7-formyloxy-9-oxofluorene-2-carboxylic acid is sourced from PubChem (CID 58307545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).