2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid

C15H12O6S — CID 54434206

IUPAC2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H12O6S/c1-15(18,14(16)17)9-6-7-11-13(8-9)22(19,20)12-5-3-2-4-10(12)21-11/h2-8,18H,1H3,(H,16,17)
InChIKeyWJPJBYJLTSQPMQ-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.92
Rot. Bonds2

About 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid

2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid (PubChem CID 54434206) has the molecular formula C15H12O6S and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid
PubChem CID54434206
Molecular FormulaC15H12O6S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C15H12O6S/c1-15(18,14(16)17)9-6-7-11-13(8-9)22(19,20)12-5-3-2-4-10(12)21-11/h2-8,18H,1H3,(H,16,17)
InChIKeyWJPJBYJLTSQPMQ-UHFFFAOYSA-N
XLogP1.92
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid (CID 54434206) is 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid is CC(O)(C(=O)O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid?
The InChIKey is WJPJBYJLTSQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6S/c1-15(18,14(16)17)9-6-7-11-13(8-9)22(19,20)12-5-3-2-4-10(12)21-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid?
2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid has a molecular weight of 320.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dioxophenoxathiin-2-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 54434206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).