2-(2-oxopyran-3-yl)acetic acid

C7H6O4 — CID 19806839

IUPAC2-(2-oxopyran-3-yl)acetic acid
SMILESO=C(O)Cc1cccoc1=O
InChIInChI=1S/C7H6O4/c8-6(9)4-5-2-1-3-11-7(5)10/h1-3H,4H2,(H,8,9)
InChIKeyWUBMTQQWIYYKJJ-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.27
Rot. Bonds2

About 2-(2-oxopyran-3-yl)acetic acid

2-(2-oxopyran-3-yl)acetic acid (PubChem CID 19806839) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-(2-oxopyran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxopyran-3-yl)acetic acid
PubChem CID19806839
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name2-(2-oxopyran-3-yl)acetic acid
SMILESO=C(O)Cc1cccoc1=O
InChIInChI=1S/C7H6O4/c8-6(9)4-5-2-1-3-11-7(5)10/h1-3H,4H2,(H,8,9)
InChIKeyWUBMTQQWIYYKJJ-UHFFFAOYSA-N
XLogP0.27
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyran-3-yl)acetic acid?
The IUPAC name of 2-(2-oxopyran-3-yl)acetic acid (CID 19806839) is 2-(2-oxopyran-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxopyran-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxopyran-3-yl)acetic acid is O=C(O)Cc1cccoc1=O.
What is the InChIKey of 2-(2-oxopyran-3-yl)acetic acid?
The InChIKey is WUBMTQQWIYYKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c8-6(9)4-5-2-1-3-11-7(5)10/h1-3H,4H2,(H,8,9).
What are the key properties of 2-(2-oxopyran-3-yl)acetic acid?
2-(2-oxopyran-3-yl)acetic acid has a molecular weight of 154.12 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyran-3-yl)acetic acid is sourced from PubChem (CID 19806839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).