UCSF

ZINC00292088

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 Yes

Popular Name: 4-(isopentyloxy)benzoic acid 4-(isopentyloxy)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 2910-85-2 , [2910-85-2]

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) 3.56 7.39 -46.83 0 3 -1 49 207.249 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 142-144° Matrix Scientific
melting_point 144 - 147 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0454501A2; EP0454501A3; EP0839812A1; US5387596 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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