2-(10,10-dioxophenoxathiin-1-yl)acetic acid

C14H10O5S — CID 10085601

IUPAC2-(10,10-dioxophenoxathiin-1-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O5S/c15-13(16)8-9-4-3-6-11-14(9)20(17,18)12-7-2-1-5-10(12)19-11/h1-7H,8H2,(H,15,16)
InChIKeyLFOJBVMPINTAES-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.25
Rot. Bonds2

About 2-(10,10-dioxophenoxathiin-1-yl)acetic acid

2-(10,10-dioxophenoxathiin-1-yl)acetic acid (PubChem CID 10085601) has the molecular formula C14H10O5S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-(10,10-dioxophenoxathiin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(10,10-dioxophenoxathiin-1-yl)acetic acid
PubChem CID10085601
Molecular FormulaC14H10O5S
Molecular Weight290.30 g/mol
Exact Mass290.02
IUPAC Name2-(10,10-dioxophenoxathiin-1-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H10O5S/c15-13(16)8-9-4-3-6-11-14(9)20(17,18)12-7-2-1-5-10(12)19-11/h1-7H,8H2,(H,15,16)
InChIKeyLFOJBVMPINTAES-UHFFFAOYSA-N
XLogP2.25
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dioxophenoxathiin-1-yl)acetic acid?
The IUPAC name of 2-(10,10-dioxophenoxathiin-1-yl)acetic acid (CID 10085601) is 2-(10,10-dioxophenoxathiin-1-yl)acetic acid.
What is the SMILES notation for 2-(10,10-dioxophenoxathiin-1-yl)acetic acid?
The canonical SMILES for 2-(10,10-dioxophenoxathiin-1-yl)acetic acid is O=C(O)Cc1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 2-(10,10-dioxophenoxathiin-1-yl)acetic acid?
The InChIKey is LFOJBVMPINTAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5S/c15-13(16)8-9-4-3-6-11-14(9)20(17,18)12-7-2-1-5-10(12)19-11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-(10,10-dioxophenoxathiin-1-yl)acetic acid?
2-(10,10-dioxophenoxathiin-1-yl)acetic acid has a molecular weight of 290.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dioxophenoxathiin-1-yl)acetic acid is sourced from PubChem (CID 10085601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).