UCSF

ZINC04204399

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 No

Popular Name: 2-Benzo[b]thiopheneglyoxal hydrate 2-Benzo[b]thiopheneglyoxal hydrate

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CAS Numbers: 1172075-67-0 , [1172075-67-0]

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) 2.49 1.39 -9.04 0 2 0 34 190.223 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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