UCSF

ZINC02385704

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 18 Yes

Popular Name: ethyl 5-(4-methoxyphenyl)thiophene-2-carboxylate ethyl 5-(4-methoxyphenyl)thiophe…

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CAS Numbers: 13858-71-4 , [13858-71-4]

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) 4.02 1.73 -7.22 0 3 0 35 262.33 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 7.100000000000000e+001 - 7.500000000000000e+001 KeyOrganics
melting_point 71 - 75 KeyOrganics
MP 71-75° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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