UCSF

ZINC04701527

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 13 No

Popular Name: (Z)-3-(4-Methoxyphenyl)acrylic acid (Z)-3-(4-Methoxyphenyl)acrylic acid

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CAS Numbers: 5676-64-2 , 830-09-1 , 943-89-5 , [5676-64-2] , [56767-37-4]

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) 1.97 4.48 -50.24 0 3 -1 49 177.179 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 173 - 175 Acros Organics
mp 173.5 - 174 MolMall (formerly Molecular Diversity Preservation International)
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin 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
Hazard XI: Irritant Acros Organics

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