7-formyloxy-9-oxoxanthene-2-carboxylic acid

C15H8O6 — CID 58099905

IUPAC7-formyloxy-9-oxoxanthene-2-carboxylic acid
SMILESO=COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C15H8O6/c16-7-20-9-2-4-13-11(6-9)14(17)10-5-8(15(18)19)1-3-12(10)21-13/h1-7H,(H,18,19)
InChIKeyPVNIHONTAUNWCN-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.18
Rot. Bonds3

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

7-formyloxy-9-oxoxanthene-2-carboxylic acid (PubChem CID 58099905) has the molecular formula C15H8O6 and a molecular weight of 284.22 g/mol. Its IUPAC name is 7-formyloxy-9-oxoxanthene-2-carboxylic acid.

Molecular Properties

Compound Name7-formyloxy-9-oxoxanthene-2-carboxylic acid
PubChem CID58099905
Molecular FormulaC15H8O6
Molecular Weight284.22 g/mol
Exact Mass284.03
IUPAC Name7-formyloxy-9-oxoxanthene-2-carboxylic acid
SMILESO=COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1
InChIInChI=1S/C15H8O6/c16-7-20-9-2-4-13-11(6-9)14(17)10-5-8(15(18)19)1-3-12(10)21-13/h1-7H,(H,18,19)
InChIKeyPVNIHONTAUNWCN-UHFFFAOYSA-N
XLogP2.18
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-formyloxy-9-oxoxanthene-2-carboxylic acid?
The IUPAC name of 7-formyloxy-9-oxoxanthene-2-carboxylic acid (CID 58099905) is 7-formyloxy-9-oxoxanthene-2-carboxylic acid.
What is the SMILES notation for 7-formyloxy-9-oxoxanthene-2-carboxylic acid?
The canonical SMILES for 7-formyloxy-9-oxoxanthene-2-carboxylic acid is O=COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1.
What is the InChIKey of 7-formyloxy-9-oxoxanthene-2-carboxylic acid?
The InChIKey is PVNIHONTAUNWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O6/c16-7-20-9-2-4-13-11(6-9)14(17)10-5-8(15(18)19)1-3-12(10)21-13/h1-7H,(H,18,19).
What are the key properties of 7-formyloxy-9-oxoxanthene-2-carboxylic acid?
7-formyloxy-9-oxoxanthene-2-carboxylic acid has a molecular weight of 284.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyloxy-9-oxoxanthene-2-carboxylic acid is sourced from PubChem (CID 58099905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).