UCSF

ZINC00389762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 13 Yes

Popular Name: 4-Isopropoxybenzoic acid 4-Isopropoxybenzoic acid

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CAS Numbers: , 13205-46-4 , N/A , [13205-46-4]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.64 5.91 -47.56 0 3 -1 49 179.195 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 163 TCI
Melting_Point 163-167? Alfa-Aesar
Melting_Point 163-167° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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