UCSF

ZINC00057740

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 6-Methylcoumarin 6-Methylcoumarin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 92-48-8 , [92-48-8]

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) 2.44 6.66 -10.37 0 2 0 30 160.172 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.529 Bitter DB
BP 200 / 19 TCI
Boiling_Point 303?/725mm Alfa-Aesar
Boiling_Point 303°/725mm Alfa-Aesar
Melting_Point 74-77? Alfa-Aesar
Melting_Point 74-77° Alfa-Aesar
M.P 75-77C Indofine
MP 75-77o C Indofine
MP 76 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% APIChem
UniProt Database Links CLPP_ECOLI; SSEL_SALTY ChEBI
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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