2H-pyran-2,3-dicarboxylic acid

C7H6O5 — CID 18377214

IUPAC2H-pyran-2,3-dicarboxylic acid
SMILESO=C(O)C1=CC=COC1C(=O)O
InChIInChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-3,5H,(H,8,9)(H,10,11)
InChIKeyHQGBNPXNXJHNTD-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.01
Rot. Bonds2

About 2H-pyran-2,3-dicarboxylic acid

2H-pyran-2,3-dicarboxylic acid (PubChem CID 18377214) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2H-pyran-2,3-dicarboxylic acid.

Molecular Properties

Compound Name2H-pyran-2,3-dicarboxylic acid
PubChem CID18377214
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name2H-pyran-2,3-dicarboxylic acid
SMILESO=C(O)C1=CC=COC1C(=O)O
InChIInChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-3,5H,(H,8,9)(H,10,11)
InChIKeyHQGBNPXNXJHNTD-UHFFFAOYSA-N
XLogP-0.01
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2,3-dicarboxylic acid?
The IUPAC name of 2H-pyran-2,3-dicarboxylic acid (CID 18377214) is 2H-pyran-2,3-dicarboxylic acid.
What is the SMILES notation for 2H-pyran-2,3-dicarboxylic acid?
The canonical SMILES for 2H-pyran-2,3-dicarboxylic acid is O=C(O)C1=CC=COC1C(=O)O.
What is the InChIKey of 2H-pyran-2,3-dicarboxylic acid?
The InChIKey is HQGBNPXNXJHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c8-6(9)4-2-1-3-12-5(4)7(10)11/h1-3,5H,(H,8,9)(H,10,11).
What are the key properties of 2H-pyran-2,3-dicarboxylic acid?
2H-pyran-2,3-dicarboxylic acid has a molecular weight of 170.12 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2,3-dicarboxylic acid is sourced from PubChem (CID 18377214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).