UCSF

ZINC01649060

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 4-Methylphenylacetone 4-Methylphenylacetone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2096-86-8 , [2096-86-8]

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) 2.11 2.17 -7.12 0 1 0 17 148.205 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 132°/20mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings Irritant/Lachrymator/Store in Freezer Matrix Scientific

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