Dihydrocoumarin
Dihydrocoumarin synonyms
meliotine; melilotic acid lactone; o-hydroxyhydrocinnamic acid lactone; 3,4-dihydrocoumarin; 1,2-benzodihydropyrone; chroman-2-one; Hydrocinnamic acid, o-hydroxy-, delta-lactone; 3,4-Dihydro-1-benzopyran-2-one; Melilotine; Hydroxydihydrocinnamic acid lactone, o-; 3,4-Dihydro-2H-1-benzopyran-2-one
Graphical representations:
View large 3D structure
Molecular Formula: C9H8O2
Natural Isotopic Abundance Mass: 148.15862
Mono-Isotopic Molecular Masses:
- C12N14: 148.052429501
- C13N14: 157.0826230412
- C12N15: 148.052429501
- C13N15: 157.0826230412
InChI string: InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
PubChem Compound (CID): 660CAS Registry number: 119-84-6 1341-36-2
Sigma-Aldrich: D104809_ALDRICH
ChEBI: CHEBI:16151
HSDB: 4333
BioCyc: DIHYDROCOUMARIN
ChemIDplus: 000119846
ChemSpider: 16345009
EINECS: 204-354-9
CCRIS: 5803
NMRShiftDB: 10009218
EPA DSSTox: 474
UM-BBD: c0397
KEGG Compound ID: C02274
Beilstein Handbook Reference: 5-17-10-00013
ChemDB: 4557212
NCGC: NCGC00091491-01
NIST Chemistry WebBook: 1662888345
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)