UCSF

ZINC00094295

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 Yes

Popular Name: 3-(2,5-dimethoxyphenyl)propanoic acid 3-(2,5-dimethoxyphenyl)propanoic…

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CAS Numbers: 10538-49-5 , [10538-49-5]

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) 1.92 4.36 -51.28 0 4 -1 59 209.221 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 61-66? Alfa-Aesar
Melting_Point 61-66° Alfa-Aesar
MP 62-65° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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