Structure via PubChem · Public domain (PubChem)
isocoumarin
Sign in to saveAlso known as 1H-2-benzopyran-1-one, 3,4-Benzo-2-pyrone
Isocoumarin (1H-2-benzopyran-1-one; 3,4-benzo-2-pyrone) is a lactone, a type of natural organic compound.
Chemical data
- Formula
- C9H6O2
- Molecular weight
- 146.14 g/mol
- IUPAC name
- isochromen-1-one
- SMILES
- C1=CC=C2C(=C1)C=COC2=O
- InChIKey
- IQZZFVDIZRWADY-UHFFFAOYSA-N
- XLogP
- 1.9
- Polar surface area
- 26.3 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 146.037
Show 4 more facts
- chemical formula
- C₉H₆O₂
- topic's main category
- Category:Isocoumarins
- Commons category
- Isocoumarins
- canonical SMILES
- C1=CC=C2C(=C1)C=COC2=O
via Wikidata · CC0
~1 min read
Encyclopedic overview
3 sectionsContents
- Known natural compounds
- See also
- References
Isocoumarin (1H-2-benzopyran-1-one; 3,4-benzo-2-pyrone) is a lactone, a type of natural organic compound.
== Known natural compounds == Thunberginol A and B dihydroisocoumarins Hydrangenol Phyllodulcin Thunberginol C, D, E and G The derivative 3-acetyl-3,4-dihydro-5,6-dimethoxy-1H-2-benzopyran-1-one can be found in Huáng bǎi (Phellodendron chinense), one of the fifty fundamental herbs of traditional Chinese medicine.
Excerpted from Wikipedia’s “isocoumarin” article, available under the CC BY-SA 4.0 licence.