UCSF

ZINC00160662

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 12 Yes

Popular Name: 4-Amino-2-methoxybenzoic acid 4-Amino-2-methoxybenzoic acid

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CAS Numbers: 2486-80-8 , [2486-80-8]

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) 0.99 3.01 -57.56 2 4 -1 75 166.156 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 136 - 137 KeyOrganics
MP 136-137° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Melting_Point ca 150? dec. Alfa-Aesar
Melting_Point ca 150° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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