UCSF

ZINC02038290

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Popular Name: 2-Isopropylbenzoic acid 2-Isopropylbenzoic acid

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CAS Numbers: 2438-04-2 , [2438-04-2]

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) 2.50 1.48 -52.08 0 2 -1 40 163.196 2 ↓
Hi High (pH 8-9.5) 0.89 5.07 -103.17 8 10 2 151 523.613 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 61-63° Oakwood Chemical
Purity 95% Fluorochem
Purity 98% Fluorochem

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