2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid

C7H6O5 — CID 124509971

IUPAC2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid
SMILESO=C(O)c1occ2c1OCCO2
InChIInChI=1S/C7H6O5/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
InChIKeyUDIRBDZHWUFJQA-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.75
Rot. Bonds1

About 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid

2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid (PubChem CID 124509971) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid
PubChem CID124509971
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid
SMILESO=C(O)c1occ2c1OCCO2
InChIInChI=1S/C7H6O5/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
InChIKeyUDIRBDZHWUFJQA-UHFFFAOYSA-N
XLogP0.75
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid with MolForge

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Related Compounds

3,4-dihydro-2H-furo[3,4-b][1,4]dioxepine-6-carboxylic acid
CID 83668316
3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376894
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid
CID 165486473
7-amino-5-fluoro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
CID 162532885
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
carbamic acid;2,3-dihydro-1,4-benzodioxine
CID 67613608
7-(4-phenylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 69168067
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117317862
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 117466605
8,11-dioxa-3,16-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene-4,15-dicarboxylic acid
CID 101479910

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid?
The IUPAC name of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid (CID 124509971) is 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid?
The canonical SMILES for 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid is O=C(O)c1occ2c1OCCO2.
What is the InChIKey of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid?
The InChIKey is UDIRBDZHWUFJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9).
What are the key properties of 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid?
2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid has a molecular weight of 170.12 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuro[3,4-b][1,4]dioxine-5-carboxylic acid is sourced from PubChem (CID 124509971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).