UCSF

ZINC00391964

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Ethyl 2-methylbenzoate Ethyl 2-methylbenzoate

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CAS Number: 87-24-1

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) 2.55 6.6 -5.27 0 2 0 26 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 220 - 221 (p=731 torr) Acros Organics
BP 227 TCI
Boiling_Point 227? Alfa-Aesar
Boiling_Point 227° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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