UCSF

ZINC12336620

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 22 No

Popular Name: Methyl 3-(2-(3-formylphenoxy)ethoxy)benzoate Methyl 3-(2-(3-formylphenoxy)eth…

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CAS Numbers: 937601-94-0 , [937601-94-0]

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) 3.59 2.69 -18.39 0 5 0 62 300.31 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 9.000000000000000e+001 - 9.200000000000000e+001 KeyOrganics
melting_point 90 - 92 KeyOrganics
MP 90-92° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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