2-oxochromene-4,7-dicarbaldehyde

C11H6O4 — CID 90255777

IUPAC2-oxochromene-4,7-dicarbaldehyde
SMILESO=Cc1ccc2c(C=O)cc(=O)oc2c1
InChIInChI=1S/C11H6O4/c12-5-7-1-2-9-8(6-13)4-11(14)15-10(9)3-7/h1-6H
InChIKeyCSNFTVRCWZAGIR-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.42
Rot. Bonds2

About 2-oxochromene-4,7-dicarbaldehyde

2-oxochromene-4,7-dicarbaldehyde (PubChem CID 90255777) has the molecular formula C11H6O4 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-oxochromene-4,7-dicarbaldehyde.

Molecular Properties

Compound Name2-oxochromene-4,7-dicarbaldehyde
PubChem CID90255777
Molecular FormulaC11H6O4
Molecular Weight202.16 g/mol
Exact Mass202.03
IUPAC Name2-oxochromene-4,7-dicarbaldehyde
SMILESO=Cc1ccc2c(C=O)cc(=O)oc2c1
InChIInChI=1S/C11H6O4/c12-5-7-1-2-9-8(6-13)4-11(14)15-10(9)3-7/h1-6H
InChIKeyCSNFTVRCWZAGIR-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxochromene-4,7-dicarbaldehyde?
The IUPAC name of 2-oxochromene-4,7-dicarbaldehyde (CID 90255777) is 2-oxochromene-4,7-dicarbaldehyde.
What is the SMILES notation for 2-oxochromene-4,7-dicarbaldehyde?
The canonical SMILES for 2-oxochromene-4,7-dicarbaldehyde is O=Cc1ccc2c(C=O)cc(=O)oc2c1.
What is the InChIKey of 2-oxochromene-4,7-dicarbaldehyde?
The InChIKey is CSNFTVRCWZAGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O4/c12-5-7-1-2-9-8(6-13)4-11(14)15-10(9)3-7/h1-6H.
What are the key properties of 2-oxochromene-4,7-dicarbaldehyde?
2-oxochromene-4,7-dicarbaldehyde has a molecular weight of 202.16 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxochromene-4,7-dicarbaldehyde is sourced from PubChem (CID 90255777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).