Coumarin
Coumarin synonyms
2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone; Cumarin; Benzo-alpha-pyrone; 5,6-Benzo-2-pyrone; Tonka bean camphor; Benzo-a-pyrone; cis-o-Coumaric acid anhydride; Coumarine; Rattex; o-Hydroxycinnamic lactone; o-Hydroxycinnamic acid lactone
Graphical representations:
View large 3D structure
Molecular Formula: C9H6O2
Natural Isotopic Abundance Mass: 146.1427400000
Mono-Isotopic Molecular Masses:
- C12N14: 146.036779437
- C13N14: 155.066972977
- C12N15: 146.036779437
- C13N15: 155.066972977
InChI string: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
IUPAC: chromen-2-one
PubChem Compound (CID): 323KEGG Compound ID: C05851
CAS Registry number: 91-64-5
ChEBI: 28794
CCRIS: 181
Beilstein Handbook Reference: 5-17-10-00143
NSC: 8774
EINECS: 202-086-7
HSDB: 1623
PDB Compound ID: COU
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)