UCSF

ZINC04203726

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 Yes

Popular Name: 5-Methoxy-2-tetralone 5-Methoxy-2-tetralone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32940-15-1 , [32940-15-1]

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) 1.81 5.44 -5.98 0 2 0 26 176.215 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 165 / 10 TCI
MP 32-36° Oakwood Chemical
MP 37 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.