UCSF

ZINC00080865

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 No

Popular Name: 4-Chlorocinnamic acid 4-Chlorocinnamic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1615-02-7 , 2/7/1615 , 7/2/1615 , 940-62-5 , [1615-02-7]

Download: MOL2 SDF SMILES Flexibase

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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) 2.59 0.95 -46.86 0 2 -1 40 181.598 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 246 - 250 Acros Organics
MP 248 - 250 Enamine Building Blocks
M.P 248-250 °C Indofine
MP 248-250° Matrix Scientific
Melting_Point 248-253? Alfa-Aesar
Melting_Point 248-253° Alfa-Aesar
MP 248...250 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Fluorochem
Purity 99% Matrix Scientific
UniProt Database Links CGT_FRAAN ChEBI
H phrase H302: Harmful if swallowed Acros Organics
Warnings Irritant Matrix Scientific
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
Hazard XN: Harmful Acros Organics

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