UCSF

ZINC02560582

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

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

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CAS Number: 3943-77-9

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) 2.13 2.67 -8.15 0 4 0 44 210.229 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 41 - 45 Enamine Building Blocks
MP 42 - 44 Enamine Building Blocks
Melting_Point 42-45? Alfa-Aesar
Melting_Point 42-45° Alfa-Aesar
MP 42...44 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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