8H-chromene-4,7-dione

C9H6O3 — CID 23165051

IUPAC8H-chromene-4,7-dione
SMILESO=C1C=Cc2c(occc2=O)C1
InChIInChI=1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-4H,5H2
InChIKeyJWVUXJAHECOVIX-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.78
Rot. Bonds

About 8H-chromene-4,7-dione

8H-chromene-4,7-dione (PubChem CID 23165051) has the molecular formula C9H6O3 and a molecular weight of 162.14 g/mol. Its IUPAC name is 8H-chromene-4,7-dione.

Molecular Properties

Compound Name8H-chromene-4,7-dione
PubChem CID23165051
Molecular FormulaC9H6O3
Molecular Weight162.14 g/mol
Exact Mass162.03
IUPAC Name8H-chromene-4,7-dione
SMILESO=C1C=Cc2c(occc2=O)C1
InChIInChI=1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-4H,5H2
InChIKeyJWVUXJAHECOVIX-UHFFFAOYSA-N
XLogP0.78
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8H-chromene-4,7-dione?
The IUPAC name of 8H-chromene-4,7-dione (CID 23165051) is 8H-chromene-4,7-dione.
What is the SMILES notation for 8H-chromene-4,7-dione?
The canonical SMILES for 8H-chromene-4,7-dione is O=C1C=Cc2c(occc2=O)C1.
What is the InChIKey of 8H-chromene-4,7-dione?
The InChIKey is JWVUXJAHECOVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-4H,5H2.
What are the key properties of 8H-chromene-4,7-dione?
8H-chromene-4,7-dione has a molecular weight of 162.14 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-chromene-4,7-dione is sourced from PubChem (CID 23165051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).