6-methyl-2-oxochromene-3-carboxylic acid

C11H8O4 — CID 25090

IUPAC6-methyl-2-oxochromene-3-carboxylic acid
SMILESCc1ccc2oc(=O)c(C(=O)O)cc2c1
InChIInChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKeyFJICLQQBBFWGMZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.80
Rot. Bonds1

About 6-methyl-2-oxochromene-3-carboxylic acid

6-methyl-2-oxochromene-3-carboxylic acid (PubChem CID 25090) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 6-methyl-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxochromene-3-carboxylic acid
PubChem CID25090
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name6-methyl-2-oxochromene-3-carboxylic acid
SMILESCc1ccc2oc(=O)c(C(=O)O)cc2c1
InChIInChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKeyFJICLQQBBFWGMZ-UHFFFAOYSA-N
XLogP1.80
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxochromene-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxochromene-3-carboxylic acid (CID 25090) is 6-methyl-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxochromene-3-carboxylic acid is Cc1ccc2oc(=O)c(C(=O)O)cc2c1.
What is the InChIKey of 6-methyl-2-oxochromene-3-carboxylic acid?
The InChIKey is FJICLQQBBFWGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13).
What are the key properties of 6-methyl-2-oxochromene-3-carboxylic acid?
6-methyl-2-oxochromene-3-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 25090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).