UCSF

ZINC02242686

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 11 Yes

Popular Name: 3',5'-Dihydroxyacetophenone 3',5'-Dihydroxyacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39151-19-4 , 51863-60-6 , [51863-60-6]

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) 0.81 -0.84 -8.82 2 3 0 58 152.149 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 142-149? Alfa-Aesar
Melting_Point 142-149° Alfa-Aesar
Mp [°C] 143 - 147 Acros Organics
MP 145 - 146 Enamine Building Blocks
MP 145-146° Fluorochem
MP 145...146 Enamine Building Blocks
MP 147 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
Purity 97% APIChem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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