UCSF

ZINC01235108

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 13 No

Popular Name: 4-(4-Methoxyphenyl)-2-butanone 4-(4-Methoxyphenyl)-2-butanone

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CAS Numbers: 104-20-1 , [104-20-1]

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) 2.24 1.95 -6.9 0 2 0 26 178.231 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 10 TCI
Boiling_Point 147-148?/8mm Alfa-Aesar
Boiling_Point 147-148°/8mm Alfa-Aesar
BP [°C] 152 - 153 (p=15 torr) Acros Organics
BP 177 / 25 TCI
Melting_Point 7-9? Alfa-Aesar
Melting_Point 7-9° Alfa-Aesar
Mp [°C] 8 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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