5-methoxy-4-oxopyran-2-carboxylic acid

C7H6O5 — CID 11992679

IUPAC5-methoxy-4-oxopyran-2-carboxylic acid
SMILESCOc1coc(C(=O)O)cc1=O
InChIInChI=1S/C7H6O5/c1-11-6-3-12-5(7(9)10)2-4(6)8/h2-3H,1H3,(H,9,10)
InChIKeyJQYYVBCIIMRLDL-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.35
Rot. Bonds2

About 5-methoxy-4-oxopyran-2-carboxylic acid

5-methoxy-4-oxopyran-2-carboxylic acid (PubChem CID 11992679) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 5-methoxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-4-oxopyran-2-carboxylic acid
PubChem CID11992679
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name5-methoxy-4-oxopyran-2-carboxylic acid
SMILESCOc1coc(C(=O)O)cc1=O
InChIInChI=1S/C7H6O5/c1-11-6-3-12-5(7(9)10)2-4(6)8/h2-3H,1H3,(H,9,10)
InChIKeyJQYYVBCIIMRLDL-UHFFFAOYSA-N
XLogP0.35
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 5-methoxy-4-oxopyran-2-carboxylic acid (CID 11992679) is 5-methoxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 5-methoxy-4-oxopyran-2-carboxylic acid is COc1coc(C(=O)O)cc1=O.
What is the InChIKey of 5-methoxy-4-oxopyran-2-carboxylic acid?
The InChIKey is JQYYVBCIIMRLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c1-11-6-3-12-5(7(9)10)2-4(6)8/h2-3H,1H3,(H,9,10).
What are the key properties of 5-methoxy-4-oxopyran-2-carboxylic acid?
5-methoxy-4-oxopyran-2-carboxylic acid has a molecular weight of 170.12 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 11992679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).