UCSF

ZINC12358730

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 No

Popular Name: 3-ChlorocinnaMic Acid 3-ChlorocinnaMic Acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14473-90-6 , 1866-38-2

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) 2.56 0.81 -45.66 0 2 -1 40 181.598 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 161-164? Alfa-Aesar
Melting_Point 161-164° Alfa-Aesar

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