UCSF

ZINC01040392

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 Yes

Popular Name: 5-tert-Butyl-thiophene-2-carboxylic acid 5-tert-Butyl-thiophene-2-carboxy…

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CAS Numbers: 29212-25-7 , 478022-18-3

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) 3.35 0.84 -50.15 0 2 -1 40 183.252 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
MP 124-127° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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