UCSF

ZINC00406991

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: Methyl 3,4-dimethoxybenzoate Methyl 3,4-dimethoxybenzoate

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CAS Numbers: 2150-38-1 , [2150-38-1]

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) 1.76 4.37 -8.44 0 4 0 45 196.202 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 283 Acros Organics
Boiling_Point 283? Alfa-Aesar
Boiling_Point 283° Alfa-Aesar
Melting_Point 57-61? Alfa-Aesar
Melting_Point 57-61° Alfa-Aesar
Mp [°C] 58 - 62 Acros Organics
MP 59 - 62 Enamine Building Blocks
M.P 59-62 °C Indofine
MP 59...62 Enamine Building Blocks
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

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