UCSF

ZINC01386544

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 Yes

Popular Name: 5-{[(4-methylbenzoyl)oxy]methyl}-4-oxo-4H-pyran-2-yl 4-methylbenzenecarboxylate 5-{[(4-methylbenzoyl)oxy]methyl}…

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CAS Number: 865659-02-5

Other Names:

MFCD03787183

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) 5.09 5.83 -13.21 0 6 0 82 378.38 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 135 - 136 KeyOrganics

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Rings

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

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