4-oxochromene-2-carboxylic acid

C10H6O4 — CID 2741

💊View drug profile → chromocarb
IUPAC4-oxochromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)
InChIKeyRVMGXWBCQGAWBR-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.49
Rot. Bonds1

About 4-oxochromene-2-carboxylic acid

4-oxochromene-2-carboxylic acid (PubChem CID 2741) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name4-oxochromene-2-carboxylic acid
PubChem CID2741
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name4-oxochromene-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)
InChIKeyRVMGXWBCQGAWBR-UHFFFAOYSA-N
XLogP1.49
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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o-TOLYL SALICYLATE
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Frequently Asked Questions

What is the IUPAC name of 4-oxochromene-2-carboxylic acid?
The IUPAC name of 4-oxochromene-2-carboxylic acid (CID 2741) is 4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 4-oxochromene-2-carboxylic acid?
The canonical SMILES for 4-oxochromene-2-carboxylic acid is O=C(O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxochromene-2-carboxylic acid?
The InChIKey is RVMGXWBCQGAWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13).
What are the key properties of 4-oxochromene-2-carboxylic acid?
4-oxochromene-2-carboxylic acid has a molecular weight of 190.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 2741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).