UCSF

ZINC01745650

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 4-(methoxymethyl)benzoic acid 4-(methoxymethyl)benzoic acid

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CAS Numbers: 67003-50-3 , [67003-50-3]

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) 1.80 3.85 -50.95 0 3 -1 49 165.168 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 88 - 92 Enamine Building Blocks
MP 88...92 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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