UCSF

ZINC01692481

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Substance Information

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

Popular Name: 1,3-Bis(2-hydroxyethoxy)benzene 1,3-Bis(2-hydroxyethoxy)benzene

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CAS Numbers: 102-40-9 , [102-40-9]

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) 0.76 -1.28 -11.34 2 4 0 59 198.218 6 ↓

Vendor Notes

Note Type Comments Provided By
BP 234 / 30 TCI
MP 90 TCI
M.P 90 °C Indofine

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