UCSF

ZINC34927120

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 Yes

Popular Name: 2-Isopropoxy-3-methoxybenzoic acid 2-Isopropoxy-3-methoxybenzoic acid

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CAS Numbers: , 85686-10-8

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) 2.49 6.48 -53.56 0 4 -1 59 209.221 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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