UCSF

ZINC00146189

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: methyl 3-(3,3-dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylate methyl 3-(3,3-dimethyl-2-oxo-1-a…

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CAS Numbers: 339100-30-0 , N/A

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) 2.04 2.25 -14.17 0 4 0 47 239.296 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 94 - 96 KeyOrganics
MP 94-96° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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