UCSF

ZINC00154240

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 15 No

Popular Name: (2E)-3-[4-(Methylsulfonyl)phenyl]propenoic acid (2E)-3-[4-(Methylsulfonyl)phenyl…

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CAS Numbers: 5345-30-2 , 88899-85-8 , [5345-30-2]

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) 0.78 2.88 -55 0 4 -1 74 225.245 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 293 - 295° Fluorochem
MP 293-295° Matrix Scientific
MP 307-310° Oakwood Chemical
Purity 95%+ Fluorochem
Warnings Irritant Matrix Scientific

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