UCSF

ZINC00333196

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 Yes

Popular Name: Thiophene-2,5-dicarboxylic acid monomethyl ester Thiophene-2,5-dicarboxylic acid …

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CAS Numbers: , 50340-79-9 , [50340-79-9]

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) 1.48 4 -43.38 0 4 -1 66 185.18 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 186-189° Oakwood Chemical
MP 187-190° Matrix Scientific
MP 194 - 196 Enamine Building Blocks
MP 194...196 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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