UCSF

ZINC00391851

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: (2,2-Dimethoxyethyl)benzene (2,2-Dimethoxyethyl)benzene

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CAS Numbers: 101-48-4 , [101-48-4]

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) 2.06 0.8 -3.99 0 2 0 18 166.22 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.349 Bitter DB
BP 108 / 20.3 TCI
BP [°C] 219 - 221 (p=754 torr) Acros Organics
Boiling_Point 220? Alfa-Aesar
Boiling_Point 220° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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