UCSF

ZINC00391911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 1-Methoxy-2-propyl acetate 1-Methoxy-2-propyl acetate

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CAS Numbers: 108-65-6 , 84540-57-8 , [108-65-6]

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) 0.73 3.07 -6.11 0 3 0 36 132.159 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 67? Alfa-Aesar
Melting_Point 67° Alfa-Aesar
Mp [°C] 87 Acros Organics
Boiling_Point 145-146? Alfa-Aesar
Boiling_Point 145-146° Alfa-Aesar
BP [°C] 146 Acros Organics
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics

Activity (Go SEA)

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