UCSF

ZINC00402356

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: 3-(4-Methoxy-3-methyl-phenyl)-propionic acid 3-(4-Methoxy-3-methyl-phenyl)-pr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1005205-20-8 , 22442-47-3 , [22442-47-3]

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) 2.31 1.54 -46.57 0 3 -1 49 193.222 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 94-97? Alfa-Aesar
Melting_Point 94-97° Alfa-Aesar
MP 98-99° Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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