UCSF

ZINC02040382

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Popular Name: Methyl 4-ethylbenzoate Methyl 4-ethylbenzoate

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CAS Number: 7364-20-7

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) 3.02 2.81 -5.55 0 2 0 26 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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