UCSF

ZINC02380222

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Substance Information

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

Popular Name: 3-(4-Isopropylphenyl)propionic acid 3-(4-Isopropylphenyl)propionic acid

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CAS Numbers: 58420-21-6 , [58420-21-6]

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) 3.39 1.92 -45.91 0 2 -1 40 191.25 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 71 - 73 Enamine Building Blocks
MP 71...73 Enamine Building Blocks
MP 74-76° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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