UCSF

ZINC12954491

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 26 No

Popular Name: 4-(3-oxo-3-phenyl-1-propenyl)phenyl 4-methylbenzenecarboxylate 4-(3-oxo-3-phenyl-1-propenyl)phe…

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CAS Number: 111965-04-9

Other Names:

MFCD00169176

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) 6.13 14.07 -12.94 0 3 0 43 342.394 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 156 KeyOrganics

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