UCSF

ZINC00225900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: Isobutyl 4-hydroxybenzoate Isobutyl 4-hydroxybenzoate

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CAS Numbers: , 2/3/4247 12:00:00 AM , 4247-02-3 , 4247/2/3 , [4247-02-3]

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) 2.75 0.75 -6.23 1 3 0 46 194.23 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 74-78? Alfa-Aesar
Melting_Point 74-78° Alfa-Aesar
MP 76 TCI
Purity 95% Fluorochem
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.