2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid

C9H8O4 — CID 19873310

IUPAC2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid
SMILESO=C(O)C1C=CC2=C(OC=CC2)O1
InChIInChI=1S/C9H8O4/c10-8(11)7-4-3-6-2-1-5-12-9(6)13-7/h1,3-5,7H,2H2,(H,10,11)
InChIKeyJIMUVUMCXQSEOG-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.17
Rot. Bonds1

About 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid

2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid (PubChem CID 19873310) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid.

Molecular Properties

Compound Name2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid
PubChem CID19873310
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid
SMILESO=C(O)C1C=CC2=C(OC=CC2)O1
InChIInChI=1S/C9H8O4/c10-8(11)7-4-3-6-2-1-5-12-9(6)13-7/h1,3-5,7H,2H2,(H,10,11)
InChIKeyJIMUVUMCXQSEOG-UHFFFAOYSA-N
XLogP1.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid?
The IUPAC name of 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid (CID 19873310) is 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid.
What is the SMILES notation for 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid?
The canonical SMILES for 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid is O=C(O)C1C=CC2=C(OC=CC2)O1.
What is the InChIKey of 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid?
The InChIKey is JIMUVUMCXQSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-8(11)7-4-3-6-2-1-5-12-9(6)13-7/h1,3-5,7H,2H2,(H,10,11).
What are the key properties of 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid?
2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrano[2,3-b]pyran-2-carboxylic acid is sourced from PubChem (CID 19873310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).