UCSF

ZINC01791643

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 Yes

Popular Name: 3-methoxy-4-(pentyloxy)benzoic acid 3-methoxy-4-(pentyloxy)benzoic acid

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CAS Numbers: , 95459-64-6 , N/A

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) 3.44 1.47 -48.76 0 4 -1 58 237.275 7 ↓

Vendor Notes

Note Type Comments Provided By
MP 134-136° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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