UCSF

ZINC00107768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 13 Yes

Popular Name: 3-Methylbenzofuran-2-carboxylic acid 3-Methylbenzofuran-2-carboxylic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24673-56-1 , 835912-81-7 , [24673-56-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.45 6.39 -51.37 0 3 -1 53 175.163 1 ↓
Hi High (pH 8-9.5) 1.36 5.57 -99.21 7 8 2 126 445.449 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 190 - 192 KeyOrganics
Mp [°C] 192 - 197 Acros Organics
Melting_Point 192-197? Alfa-Aesar
Melting_Point 192-197° Alfa-Aesar
MP 193 TCI
MP 193-194° Fluorochem
Purity 98% Fluorochem
MP >250°C Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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