2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid

C15H9NO6 — CID 45271304

IUPAC2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-n1c(=O)c(=O)oc2ccccc21
InChIInChI=1S/C15H9NO6/c17-8-5-6-9(14(19)20)11(7-8)16-10-3-1-2-4-12(10)22-15(21)13(16)18/h1-7,17H,(H,19,20)
InChIKeyBZSGGYVBMDSVPK-UHFFFAOYSA-N
MW299.24 g/mol
LogP1.35
Rot. Bonds2

About 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid

2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid (PubChem CID 45271304) has the molecular formula C15H9NO6 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid
PubChem CID45271304
Molecular FormulaC15H9NO6
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-n1c(=O)c(=O)oc2ccccc21
InChIInChI=1S/C15H9NO6/c17-8-5-6-9(14(19)20)11(7-8)16-10-3-1-2-4-12(10)22-15(21)13(16)18/h1-7,17H,(H,19,20)
InChIKeyBZSGGYVBMDSVPK-UHFFFAOYSA-N
XLogP1.35
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid?
The IUPAC name of 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid (CID 45271304) is 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid.
What is the SMILES notation for 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid?
The canonical SMILES for 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1-n1c(=O)c(=O)oc2ccccc21.
What is the InChIKey of 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid?
The InChIKey is BZSGGYVBMDSVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO6/c17-8-5-6-9(14(19)20)11(7-8)16-10-3-1-2-4-12(10)22-15(21)13(16)18/h1-7,17H,(H,19,20).
What are the key properties of 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid?
2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid has a molecular weight of 299.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxo-1,4-benzoxazin-4-yl)-4-hydroxybenzoic acid is sourced from PubChem (CID 45271304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).