UCSF

ZINC01736725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 Yes

Popular Name: 2'-Methylacetophenone 2'-Methylacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107557-18-6 , 577-16-2 , 85562-08-9 , 85562-09-0 , [577-16-2]

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) 2.24 5.57 -5.91 0 1 0 17 134.178 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 214 Acros Organics
Boiling_Point 214? Alfa-Aesar
Boiling_Point 214° Alfa-Aesar
BP 216 TCI
Purity 95% Fluorochem
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0912548A1; WO1998002430A1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.