6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid

C10H7NO5 — CID 165486473

IUPAC6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid
SMILESO=C(O)c1onc2cc3c(cc12)OCCO3
InChIInChI=1S/C10H7NO5/c12-10(13)9-5-3-7-8(15-2-1-14-7)4-6(5)11-16-9/h3-4H,1-2H2,(H,12,13)
InChIKeyXBQOWIFWLZBSLO-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.30
Rot. Bonds1

About 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid

6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid (PubChem CID 165486473) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid
PubChem CID165486473
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid
SMILESO=C(O)c1onc2cc3c(cc12)OCCO3
InChIInChI=1S/C10H7NO5/c12-10(13)9-5-3-7-8(15-2-1-14-7)4-6(5)11-16-9/h3-4H,1-2H2,(H,12,13)
InChIKeyXBQOWIFWLZBSLO-UHFFFAOYSA-N
XLogP1.30
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid?
The IUPAC name of 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid (CID 165486473) is 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid.
What is the SMILES notation for 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid?
The canonical SMILES for 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid is O=C(O)c1onc2cc3c(cc12)OCCO3.
What is the InChIKey of 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid?
The InChIKey is XBQOWIFWLZBSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c12-10(13)9-5-3-7-8(15-2-1-14-7)4-6(5)11-16-9/h3-4H,1-2H2,(H,12,13).
What are the key properties of 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid?
6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-[1,4]dioxino[2,3-f][2,1]benzoxazole-3-carboxylic acid is sourced from PubChem (CID 165486473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).