UCSF

ZINC01384390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 Yes

Popular Name: methyl (2-cyanophenoxy)acetate methyl (2-cyanophenoxy)acetate

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CAS Numbers: , 34844-79-6

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) 1.56 5.81 -15.86 0 4 0 59 191.186 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 75 - 78 KeyOrganics

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Rings

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