UCSF

ZINC00092902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 3-Benzyloxyphenylacetonitrile 3-Benzyloxyphenylacetonitrile

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CAS Numbers: 1700-30-7 , 20967-96-8 , [20967-96-8]

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) 3.53 2.94 -9.83 0 2 0 33 223.275 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 188-190?/3mm Alfa-Aesar
Boiling_Point 188-190°/3mm Alfa-Aesar
Melting_Point 47-50? Alfa-Aesar
Melting_Point 47-50° Alfa-Aesar
MP 48-49° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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