UCSF

ZINC02163684

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 Yes

Popular Name: 4-(2-hydroxyethoxy)benzoic acid 4-(2-hydroxyethoxy)benzoic acid

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CAS Numbers: 1711-24-6 , [1711-24-6]

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) 1.27 1.26 -52.09 1 4 -1 70 181.167 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 170 - 172 KeyOrganics
MP 177 - 179 Enamine Building Blocks
MP 177-179° Matrix Scientific
MP 177...179 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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