UCSF

ZINC00396095

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 12 Yes

Popular Name: 3-(2-Methylphenyl)propionic acid 3-(2-Methylphenyl)propionic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22084-89-5 , 22084-89-5/77480-25-2 , 77480-25-2 , [22084-89-5]

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) 2.28 1.38 -46.52 0 2 -1 40 163.196 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 101-103? Alfa-Aesar
Melting_Point 101-103° Alfa-Aesar
MP 103 - 105 Enamine Building Blocks
MP 103...105 Enamine Building Blocks
MP 104-106° 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% )