10,10-dioxophenoxathiine-3-carboxylic acid

C13H8O5S — CID 10564378

IUPAC10,10-dioxophenoxathiine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Oc1ccccc1S2(=O)=O
InChIInChI=1S/C13H8O5S/c14-13(15)8-5-6-12-10(7-8)18-9-3-1-2-4-11(9)19(12,16)17/h1-7H,(H,14,15)
InChIKeyHNAVKDFQEGOQFV-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.32
Rot. Bonds1

About 10,10-dioxophenoxathiine-3-carboxylic acid

10,10-dioxophenoxathiine-3-carboxylic acid (PubChem CID 10564378) has the molecular formula C13H8O5S and a molecular weight of 276.27 g/mol. Its IUPAC name is 10,10-dioxophenoxathiine-3-carboxylic acid.

Molecular Properties

Compound Name10,10-dioxophenoxathiine-3-carboxylic acid
PubChem CID10564378
Molecular FormulaC13H8O5S
Molecular Weight276.27 g/mol
Exact Mass276.01
IUPAC Name10,10-dioxophenoxathiine-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Oc1ccccc1S2(=O)=O
InChIInChI=1S/C13H8O5S/c14-13(15)8-5-6-12-10(7-8)18-9-3-1-2-4-11(9)19(12,16)17/h1-7H,(H,14,15)
InChIKeyHNAVKDFQEGOQFV-UHFFFAOYSA-N
XLogP2.32
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10,10-dioxophenoxathiine-3-carboxylic acid?
The IUPAC name of 10,10-dioxophenoxathiine-3-carboxylic acid (CID 10564378) is 10,10-dioxophenoxathiine-3-carboxylic acid.
What is the SMILES notation for 10,10-dioxophenoxathiine-3-carboxylic acid?
The canonical SMILES for 10,10-dioxophenoxathiine-3-carboxylic acid is O=C(O)c1ccc2c(c1)Oc1ccccc1S2(=O)=O.
What is the InChIKey of 10,10-dioxophenoxathiine-3-carboxylic acid?
The InChIKey is HNAVKDFQEGOQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5S/c14-13(15)8-5-6-12-10(7-8)18-9-3-1-2-4-11(9)19(12,16)17/h1-7H,(H,14,15).
What are the key properties of 10,10-dioxophenoxathiine-3-carboxylic acid?
10,10-dioxophenoxathiine-3-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxophenoxathiine-3-carboxylic acid is sourced from PubChem (CID 10564378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).