UCSF

ZINC01594240

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 Yes

Popular Name: 4-(acetyloxy)-2,3,5-trimethylphenyl acetate 4-(acetyloxy)-2,3,5-trimethylphe…

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CAS Number: 7479-28-9

Other Names:

MFCD00173306

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) 2.17 5.17 -12.1 0 4 0 52 236.267 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 110 - 112 KeyOrganics
PUBCHEM_PATENT_ID EP0320777A2 IBM Patent Data

Activity (Go SEA)

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