UCSF

ZINC04137041

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 13 No

Popular Name: 3,6-Dimethyl-benzofuran-2-carbaldehyde 3,6-Dimethyl-benzofuran-2-carbal…

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CAS Numbers: 16820-39-6 , [16820-39-6]

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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) 3.09 2.67 -12.02 0 2 0 30 174.199 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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