UCSF

ZINC00896129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 12 No

Popular Name: Methyl cinnamate Methyl cinnamate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103-26-4 , 1754-62-7 , 20754-20-5 , [103-26-4] , [20754-20-5]

Download: MOL2 SDF SMILES Flexibase

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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) 2.53 2.66 -5.66 0 2 0 26 162.188 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 260 - 262 Acros Organics
BP 260-262° Oakwood Chemical
Boiling_Point 262-264? Alfa-Aesar
Boiling_Point 262-264° Alfa-Aesar
Mp [°C] 33.5 - 36 Acros Organics
Melting_Point 34-37? Alfa-Aesar
Melting_Point 34-37° Alfa-Aesar
MP 34-38 °C(lit.) Indofine
MP 34-38° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID WO1999002155A1 IBM Patent Data

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