UCSF

ZINC00556359

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 12 Yes

Popular Name: 2-methoxy-3-methylbenzoic acid 2-methoxy-3-methylbenzoic acid

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CAS Numbers: 26507-91-5 , [26507-91-5]

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) 2.34 1.68 -54.9 0 3 -1 49 165.168 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 82-83° Oakwood Chemical
Purity 95% 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.