UCSF

ZINC00394283

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Substance Information

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

Popular Name: 3-Phenoxy-1,2-propanediol 3-Phenoxy-1,2-propanediol

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CAS Numbers: 538-43-2 , [139165-57-4] , [538-43-2]

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) 0.72 -0.54 -8.85 2 3 0 50 168.192 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 202 / 22 TCI
Boiling_Point 315? Alfa-Aesar
Boiling_Point 315° Alfa-Aesar
MP 54 TCI
MP 54-56° Oakwood Chemical
Melting_Point 56-60? Alfa-Aesar
Melting_Point 56-60° Alfa-Aesar

Activity (Go SEA)

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