UCSF

ZINC01600285

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 3-Allyl-4-methoxy-benzoic acid 3-Allyl-4-methoxy-benzoic acid

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CAS Numbers: 7501-09-9 , [7501-09-9]

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) 2.66 1.85 -50.17 0 3 -1 49 191.206 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 145° Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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