2,3-dihydro-1,4-dioxine-5-carboxylic acid

C5H6O4 — CID 4657579

IUPAC2,3-dihydro-1,4-dioxine-5-carboxylic acid
SMILESO=C(O)C1=COCCO1
InChIInChI=1S/C5H6O4/c6-5(7)4-3-8-1-2-9-4/h3H,1-2H2,(H,6,7)
InChIKeyZZHGJPGNSHXDJV-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.04
Rot. Bonds1

About 2,3-dihydro-1,4-dioxine-5-carboxylic acid

2,3-dihydro-1,4-dioxine-5-carboxylic acid (PubChem CID 4657579) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dioxine-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1,4-dioxine-5-carboxylic acid
PubChem CID4657579
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2,3-dihydro-1,4-dioxine-5-carboxylic acid
SMILESO=C(O)C1=COCCO1
InChIInChI=1S/C5H6O4/c6-5(7)4-3-8-1-2-9-4/h3H,1-2H2,(H,6,7)
InChIKeyZZHGJPGNSHXDJV-UHFFFAOYSA-N
XLogP-0.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dioxine-5-carboxylic acid?
The IUPAC name of 2,3-dihydro-1,4-dioxine-5-carboxylic acid (CID 4657579) is 2,3-dihydro-1,4-dioxine-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1,4-dioxine-5-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1,4-dioxine-5-carboxylic acid is O=C(O)C1=COCCO1.
What is the InChIKey of 2,3-dihydro-1,4-dioxine-5-carboxylic acid?
The InChIKey is ZZHGJPGNSHXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c6-5(7)4-3-8-1-2-9-4/h3H,1-2H2,(H,6,7).
What are the key properties of 2,3-dihydro-1,4-dioxine-5-carboxylic acid?
2,3-dihydro-1,4-dioxine-5-carboxylic acid has a molecular weight of 130.10 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dioxine-5-carboxylic acid is sourced from PubChem (CID 4657579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).