UCSF

ZINC00120487

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 No

Popular Name: (2E)-3-(4-ethoxy-3-methoxyphenyl)acrylic acid (2E)-3-(4-ethoxy-3-methoxyphenyl…

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CAS Numbers: 144878-40-0 , 58168-81-3 , [144878-40-0] , [58168-81-3]

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) 1.93 5.48 -50.74 0 4 -1 59 221.232 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 202 - 204 Enamine Building Blocks
MP 202...204 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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