UCSF

ZINC02555419

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: Methyl 4-(3-thienyl)benzoate Methyl 4-(3-thienyl)benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20608-91-7 , [20608-91-7]

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) 3.49 2.25 -6.65 0 2 0 26 218.277 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 162-163? Alfa-Aesar
Melting_Point 162-163° Alfa-Aesar

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