UCSF

ZINC05934751

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 11 Yes

Popular Name: Chroman-2-one Chroman-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119-84-6 , 91-64-5 , [119-84-6]

Other Names:

1,2-benzodihydropyrone; 119-84-6; 2-chromanone; 2H-1-benzopyran-2-one, 3,4-dihydro-; 3,4-dihydrocoumarin; dihydrocoumarin; hydrocinnamic acid, o-hydroxy-,lactone; hydrocoumarin; melilotic lactone; melilotin; melilotol; meliotine

1,2-benzodihydropyrone; 2-chromanone; 2-hydroxydihydrocinnamic acid lactone; 3,4-dihydro-2H-chromen-2-one; 3,4-dihydrocoumarin; benzodihydropyrone; chroman-2-one; hydrocoumarin; melilotic acid lactone; melilotic lactone; melilotin; melilotol; o-hydroxydih

1,2-benzodihydropyrone; 2-Hydroxydihydrocinnamic acid lactone; 2-chromanone; 2H-1-benzopyran-2-one, 3,4-dihydro-; 3,4-Dihydro-1-benzopyran-2-one; 3,4-Dihydro-2H-1-benzopyran-2-one; 3,4-Dyhydrocoumarin; 3,4-dihydro-2H-chromen-2-one; 3,4-dihydrocoumarin; Be

1,2-benzodihydropyrone; 2-Hydroxydihydrocinnamic acid lactone; 2-chromanone; 2H-1-Benzopyran-2-one, 3,4-dihydro-; 3,4-Dihydro-2H-1-benzopyran-2-one; 3,4-Dihydrocoumarin; 3,4-Dyhydrocoumarin; AI3-03425; BRN 0004584; Benzo-DiHydro Pyrone/Di Hydro Coumarin

1,2-Benzodihydropyrone;2-Chromanone;2-Hydroxydihydrocinnamic acid lactone;2-Hydroxyhydrocinnamic lactone;2-Oxo-Chroman;2-Oxochroman;3,4-Dihydro-1-benzopyran-2-one;3,4-Dihydro-2H-1-Benzopyran-2-one;3,4-Dihydro-2H-chromen-2-one;3,4-Dihydro-Coumarin;3,4-Dihy

119-84-6; 3,4-Dihydrocoumarin; C02274; Dihydrocoumarin

3,4-Dihydro-2H-1-benzopyran-2-one

3,4-dihydro-2H-chromen-2-one

3,4-Dihydrocoumarin

3,4-Dihydrocoumarin [119-84-6]

CHEBI:14147; CHEBI:4560; CHEBI:23737

CouMarin

Dihydrocoumarin

Dihydrocoumarin, 99%

Hydrocoumarin

MFCD00006881

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 6.01 -7.92 0 2 0 26 148.161 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 149 / 20 TCI
Melting_Point 24-25? Alfa-Aesar
Melting_Point 24-25° Alfa-Aesar
Boiling_Point 272? Alfa-Aesar
Boiling_Point 272° Alfa-Aesar
Purity 95% Fluorochem
UniProt Database Links DRP35_STAAN ChEBI
Patent Database Links EP1445324; US2005014818 ChEBI
M.P ~25 C Indofine
MP ~25o C Indofine

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Analogs ( Draw Identity 99% 90% 80% 70% )