2-formyl-2H-chromene-3-carboxylic acid

C11H8O4 — CID 87892181

IUPAC2-formyl-2H-chromene-3-carboxylic acid
SMILESO=CC1Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C11H8O4/c12-6-10-8(11(13)14)5-7-3-1-2-4-9(7)15-10/h1-6,10H,(H,13,14)
InChIKeyVOZLGPYIFRYVDD-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.11
Rot. Bonds2

About 2-formyl-2H-chromene-3-carboxylic acid

2-formyl-2H-chromene-3-carboxylic acid (PubChem CID 87892181) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-formyl-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-formyl-2H-chromene-3-carboxylic acid
PubChem CID87892181
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name2-formyl-2H-chromene-3-carboxylic acid
SMILESO=CC1Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C11H8O4/c12-6-10-8(11(13)14)5-7-3-1-2-4-9(7)15-10/h1-6,10H,(H,13,14)
InChIKeyVOZLGPYIFRYVDD-UHFFFAOYSA-N
XLogP1.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-2H-chromene-3-carboxylic acid?
The IUPAC name of 2-formyl-2H-chromene-3-carboxylic acid (CID 87892181) is 2-formyl-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 2-formyl-2H-chromene-3-carboxylic acid?
The canonical SMILES for 2-formyl-2H-chromene-3-carboxylic acid is O=CC1Oc2ccccc2C=C1C(=O)O.
What is the InChIKey of 2-formyl-2H-chromene-3-carboxylic acid?
The InChIKey is VOZLGPYIFRYVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4/c12-6-10-8(11(13)14)5-7-3-1-2-4-9(7)15-10/h1-6,10H,(H,13,14).
What are the key properties of 2-formyl-2H-chromene-3-carboxylic acid?
2-formyl-2H-chromene-3-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 87892181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).