UCSF

ZINC32299174

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 12 Yes

Popular Name: Methyl 4-ethynylbenzoate Methyl 4-ethynylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3034-86-4 , [3034-86-4]

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) 1.87 6.32 -6.9 0 2 0 26 160.172 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 88-95° Oakwood Chemical
Melting_Point 92-94? Alfa-Aesar
Melting_Point 92-94° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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