UCSF

ZINC00154472

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 No

Popular Name: 2-Nitrocinnamic acid 2-Nitrocinnamic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1013-96-3 , 1013-96-3, 612-41-9 , 612-41-9

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.64 6.96 -56.61 0 5 -1 86 192.15 3 ↓

Vendor Notes

Note Type Comments Provided By
M.P 243-245 °C Indofine
MP 243-245° Matrix Scientific
Mp [°C] 245 - 248 Acros Organics
Melting_Point 245-249? Alfa-Aesar
Melting_Point 245-249° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >99% APIChem
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
Warnings IRRITANT Matrix Scientific
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 S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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