UCSF

ZINC01531852

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 No

Popular Name: 3-(4-Methoxyphenyl)acrylaldehyde 3-(4-Methoxyphenyl)acrylaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1963-36-6 , 24680-50-0 , [1963-36-6] , [24680-50-0]

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) 2.54 4.81 -9.41 0 2 0 26 162.188 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 160?/3mm Alfa-Aesar
Boiling_Point 160°/3mm Alfa-Aesar
BP 176 / 14 TCI
Mp [°C] 55 - 60 Acros Organics
Melting_Point 56-60? Alfa-Aesar
Melting_Point 56-60° Alfa-Aesar
MP 57 - 59 Enamine Building Blocks
MP 57...59 Enamine Building Blocks
MP 58 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye 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

Activity (Go SEA)

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