UCSF

ZINC02568010

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 3',4'-Dimethylacetophenone 3',4'-Dimethylacetophenone

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CAS Numbers: 1/2/3637 12:00:00 AM , 3637-01-2 , 3637/1/2 , 89-74-7 , [3637-01-2] , [89-74-7]

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) 2.66 2.19 -7.28 0 1 0 17 148.205 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 3° Matrix Scientific
Boiling_Point 242-243? Alfa-Aesar
Boiling_Point 242-243° Alfa-Aesar
BP 246° Matrix Scientific
Warnings IRRITANT Matrix Scientific
Purity ¡Ý98% APIChem

Activity (Go SEA)

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