UCSF

ZINC02560659

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Substance Information

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

Popular Name: 4-Methyl-1-indanone 4-Methyl-1-indanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24644-78-8 , [24644-78-8]

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) 2.12 1.34 -7.02 0 1 0 17 146.189 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 144 (p=13 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks
MP 94 - 96 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
Mp [°C] 98 - 100 Acros Organics
H phrase H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics

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