UCSF

ZINC12358720

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 13 No

Popular Name: Ethyl cinnamate Ethyl cinnamate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103-36-6 , 4192-77-2 , [103-36-6]

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) 2.90 7.32 -5.52 0 2 0 26 176.215 4 ↓

Vendor Notes

Note Type Comments Provided By
bp 105 - 106 (p=3 torr) MolMall (formerly Molecular Diversity Preservation International)
Boiling_Point 270-272? Alfa-Aesar
Boiling_Point 270-272° Alfa-Aesar
BP [°C] 271 Acros Organics
Mp [°C] 6.5 - 7.5 Acros Organics
Melting_Point 7? Alfa-Aesar
Melting_Point 7° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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